3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide

C27H26N2O — CID 24775931

IUPAC3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C27H26N2O/c1-19-7-10-24(17-26(19)23-11-8-20(18-28)9-12-23)27(30)29-25-15-13-22(14-16-25)21-5-3-2-4-6-21/h7-17,21H,2-6H2,1H3,(H,29,30)
InChIKeyWISFQSHSRVFDOH-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.83
Rot. Bonds4

About 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide

3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide (PubChem CID 24775931) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide
PubChem CID24775931
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1-c1ccc(C#N)cc1
InChIInChI=1S/C27H26N2O/c1-19-7-10-24(17-26(19)23-11-8-20(18-28)9-12-23)27(30)29-25-15-13-22(14-16-25)21-5-3-2-4-6-21/h7-17,21H,2-6H2,1H3,(H,29,30)
InChIKeyWISFQSHSRVFDOH-UHFFFAOYSA-N
XLogP6.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 26289841
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
N-(4-cyclohexylphenyl)-3-methyl-4-nitrobenzamide
CID 155697179
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
4-[1-[4-methyl-3-[6-(propan-2-ylamino)-3-pyridinyl]benzoyl]azepan-4-yl]benzonitrile
CID 176574181
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
4-(5-cyano-2-methylphenyl)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 59822390
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide (CID 24775931) is 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1-c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide?
The InChIKey is WISFQSHSRVFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-19-7-10-24(17-26(19)23-11-8-20(18-28)9-12-23)27(30)29-25-15-13-22(14-16-25)21-5-3-2-4-6-21/h7-17,21H,2-6H2,1H3,(H,29,30).
What are the key properties of 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide?
3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide is sourced from PubChem (CID 24775931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).