N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide

C20H13ClN2O — CID 16560997

IUPACN-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-18-11-5-6-12-19(18)23-20(24)17-10-4-3-9-16(17)15-8-2-1-7-14(15)13-22/h1-12H,(H,23,24)
InChIKeyLUIUFFVRFYZLOY-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.13
Rot. Bonds3

About N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide

N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide (PubChem CID 16560997) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
PubChem CID16560997
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC NameN-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H13ClN2O/c21-18-11-5-6-12-19(18)23-20(24)17-10-4-3-9-16(17)15-8-2-1-7-14(15)13-22/h1-12H,(H,23,24)
InChIKeyLUIUFFVRFYZLOY-UHFFFAOYSA-N
XLogP5.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
CID 51114705
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide (CID 16560997) is N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide is N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide?
The InChIKey is LUIUFFVRFYZLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-18-11-5-6-12-19(18)23-20(24)17-10-4-3-9-16(17)15-8-2-1-7-14(15)13-22/h1-12H,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide?
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide has a molecular weight of 332.79 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 16560997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).