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Home > Indoles and Oxindole > 850547-70-5
850547-70-5 | 1H-Indole-2-carboxamide, 5-chloro-3-phenyl-N-(phenylmethyl)-
CAS No: 850547-70-5 Catalog No: AG004Z89 MDL No:
Product Description
Catalog Number:
AG004Z89
Chemical Name:
1H-Indole-2-carboxamide, 5-chloro-3-phenyl-N-(phenylmethyl)-
CAS Number:
850547-70-5
Molecular Formula:
C22H17ClN2O
Molecular Weight:
360.8362
IUPAC Name:
N-benzyl-5-chloro-3-phenyl-1H-indole-2-carboxamide
InChI:
InChI=1S/C22H17ClN2O/c23-17-11-12-19-18(13-17)20(16-9-5-2-6-10-16)21(25-19)22(26)24-14-15-7-3-1-4-8-15/h1-13,25H,14H2,(H,24,26)
InChI Key:
NLUIIGCDCXUJDV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(c1ccccc1)c([nH]2)C(=O)NCc1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.841g/mol
Monoisotopic Mass:
360.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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