Home Halogens 2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide

2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide

CAS No.:
1050911-12-0
Catalog Number:
AG019MEU
Molecular Formula:
C17H16ClN3O
Molecular Weight:
313.7814
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Product Description
Catalog Number:
AG019MEU
Chemical Name:
2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)acetamide
CAS Number:
1050911-12-0
Molecular Formula:
C17H16ClN3O
Molecular Weight:
313.7814
MDL Number:
MFCD17163473
IUPAC Name:
2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
InChI:
InChI=1S/C17H16ClN3O/c18-10-16(22)20-17-14(11-19)13-8-4-5-9-15(13)21(17)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,20,22)
InChI Key:
XVIVXXDZTUSOJT-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1c(C#N)c2c(n1c1ccccc1)CCCC2
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.785g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties