N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide

C22H18N2O — CID 123481458

IUPACN-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O/c1-16-7-12-20(13-21(16)19-5-3-2-4-6-19)22(25)24-15-18-10-8-17(14-23)9-11-18/h2-13H,15H2,1H3,(H,24,25)
InChIKeyQARYRYPSBUQJBW-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide

N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide (PubChem CID 123481458) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
PubChem CID123481458
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O/c1-16-7-12-20(13-21(16)19-5-3-2-4-6-19)22(25)24-15-18-10-8-17(14-23)9-11-18/h2-13H,15H2,1H3,(H,24,25)
InChIKeyQARYRYPSBUQJBW-UHFFFAOYSA-N
XLogP4.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(4-cyanophenyl)methyl]-4-methyl-3-nitrobenzamide
CID 46483671
[2-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]phenyl]-(dimethylamino)-hydroxysulfanium
CID 144564236
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide (CID 123481458) is N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide is Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1-c1ccccc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide?
The InChIKey is QARYRYPSBUQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-7-12-20(13-21(16)19-5-3-2-4-6-19)22(25)24-15-18-10-8-17(14-23)9-11-18/h2-13H,15H2,1H3,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide?
N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-methyl-3-phenylbenzamide is sourced from PubChem (CID 123481458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).