N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide

C21H15ClN2O — CID 27843819

IUPACN-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-11-9-15(10-12-17)14-24-21(25)20-8-4-3-7-19(20)18-6-2-1-5-16(18)13-23/h1-12H,14H2,(H,24,25)
InChIKeyPEPQOTYMHZBDMX-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.81
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide

N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide (PubChem CID 27843819) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
PubChem CID27843819
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-11-9-15(10-12-17)14-24-21(25)20-8-4-3-7-19(20)18-6-2-1-5-16(18)13-23/h1-12H,14H2,(H,24,25)
InChIKeyPEPQOTYMHZBDMX-UHFFFAOYSA-N
XLogP4.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
2-(3-aminoprop-1-ynyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 60822506
1-[(4-chlorophenyl)methyl]-3-(2-cyanophenyl)urea
CID 108899194
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide (CID 27843819) is N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide?
The InChIKey is PEPQOTYMHZBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-17-11-9-15(10-12-17)14-24-21(25)20-8-4-3-7-19(20)18-6-2-1-5-16(18)13-23/h1-12H,14H2,(H,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide?
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide has a molecular weight of 346.82 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 27843819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).