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Home Other Building Blocks 2-Aminobenzanilide

2-Aminobenzanilide

CAS No.:
4424-17-3
Catalog Number:
AG003GJ6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003GJ6
Chemical Name:
2-Aminobenzanilide
CAS Number:
4424-17-3
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD00017096
IUPAC Name:
2-amino-N-phenylbenzamide
InChI:
InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChI Key:
FDPVTENMNDHFNK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccccc1N
EC Number:
224-599-5
NSC Number:
50644
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Design, synthesis, and biological evaluation of 2-aminobenzanilide derivatives as potent and selective HDAC inhibitors. ChemMedChem 20120701
Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes. Journal of molecular modeling 20120101
Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study. The journal of physical chemistry. A 20090514
Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor. Journal of medicinal chemistry 20080424
Long-distance structural consequences of H-bonding. How H-bonding affects aromaticity of the ring in variously substituted aniline/anilinium/anilide complexes with bases and acids. Journal of chemical information and modeling 20070101
Slow hydrogen atom self-exchange between Os(IV) anilide and Os(III) aniline complexes: relationships with electron and proton transfer self-exchange. Journal of the American Chemical Society 20031008
Properties