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102078-75-1 | [1,1'-Biphenyl]-2-carboxamide, N-(phenylmethyl)-
CAS No: 102078-75-1 Catalog No: AG0006KY MDL No:
Product Description
Catalog Number:
AG0006KY
Chemical Name:
[1,1'-Biphenyl]-2-carboxamide, N-(phenylmethyl)-
CAS Number:
102078-75-1
Molecular Formula:
C20H17NO
Molecular Weight:
287.3551
IUPAC Name:
N-benzyl-2-phenylbenzamide
InChI:
InChI=1S/C20H17NO/c22-20(21-15-16-9-3-1-4-10-16)19-14-8-7-13-18(19)17-11-5-2-6-12-17/h1-14H,15H2,(H,21,22)
InChI Key:
XEKOCIBSODLFQN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1c1ccccc1)NCc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.362g/mol
Monoisotopic Mass:
287.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| 3D-QSAR and 3D-QSSR models of negative allosteric modulators facilitate the design of a novel selective antagonist of human α4β2 neuronal nicotinic acetylcholine receptors. | Bioorganic & medicinal chemistry letters 20120215 |
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