4-cyano-N-(4-phenylmethoxyphenyl)benzamide

C21H16N2O2 — CID 40610982

IUPAC4-cyano-N-(4-phenylmethoxyphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c22-14-16-6-8-18(9-7-16)21(24)23-19-10-12-20(13-11-19)25-15-17-4-2-1-3-5-17/h1-13H,15H2,(H,23,24)
InChIKeyJZKZTCFSSBLQJW-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.39
Rot. Bonds5

About 4-cyano-N-(4-phenylmethoxyphenyl)benzamide

4-cyano-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 40610982) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-cyano-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID40610982
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-cyano-N-(4-phenylmethoxyphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c22-14-16-6-8-18(9-7-16)21(24)23-19-10-12-20(13-11-19)25-15-17-4-2-1-3-5-17/h1-13H,15H2,(H,23,24)
InChIKeyJZKZTCFSSBLQJW-UHFFFAOYSA-N
XLogP4.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
CID 8977230
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-cyano-N-(4-phenylmethoxyphenyl)benzamide (CID 40610982) is 4-cyano-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(4-phenylmethoxyphenyl)benzamide is N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-cyano-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is JZKZTCFSSBLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c22-14-16-6-8-18(9-7-16)21(24)23-19-10-12-20(13-11-19)25-15-17-4-2-1-3-5-17/h1-13H,15H2,(H,23,24).
What are the key properties of 4-cyano-N-(4-phenylmethoxyphenyl)benzamide?
4-cyano-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 40610982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).