N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide

C22H18N2O2 — CID 7492266

IUPACN-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H18N2O2/c23-14-17-9-11-19(12-10-17)16-26-21-8-4-7-20(13-21)22(25)24-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,24,25)
InChIKeyCVPTVQHGNRINJD-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.07
Rot. Bonds6

About N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide

N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide (PubChem CID 7492266) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
PubChem CID7492266
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H18N2O2/c23-14-17-9-11-19(12-10-17)16-26-21-8-4-7-20(13-21)22(25)24-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,24,25)
InChIKeyCVPTVQHGNRINJD-UHFFFAOYSA-N
XLogP4.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
CID 139616417
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide?
The IUPAC name of N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide (CID 7492266) is N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide?
The canonical SMILES for N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide is N#Cc1ccc(COc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide?
The InChIKey is CVPTVQHGNRINJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-14-17-9-11-19(12-10-17)16-26-21-8-4-7-20(13-21)22(25)24-15-18-5-2-1-3-6-18/h1-13H,15-16H2,(H,24,25).
What are the key properties of N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide?
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide is sourced from PubChem (CID 7492266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).