Home Halogens 4-bromo-2-fluoro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

4-bromo-2-fluoro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

CAS No.:
1307443-30-6
Catalog Number:
AG01B9TY
Molecular Formula:
C13H16BrFN2O
Molecular Weight:
315.1813
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Product Description
Catalog Number:
AG01B9TY
Chemical Name:
4-bromo-2-fluoro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
CAS Number:
1307443-30-6
Molecular Formula:
C13H16BrFN2O
Molecular Weight:
315.1813
MDL Number:
MFCD13197720
IUPAC Name:
4-bromo-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
InChI:
InChI=1S/C13H16BrFN2O/c14-10-3-4-11(12(15)9-10)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChI Key:
NDRPRJVJBHJWPY-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)C(=O)NCCN1CCCC1
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.043g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.186g/mol
Monoisotopic Mass:
314.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties