N-(3-chloro-2-cyanophenyl)benzamide

C14H9ClN2O — CID 102229158

IUPACN-(3-chloro-2-cyanophenyl)benzamide
SMILESN#Cc1c(Cl)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H9ClN2O/c15-12-7-4-8-13(11(12)9-16)17-14(18)10-5-2-1-3-6-10/h1-8H,(H,17,18)
InChIKeyACQRDLOPYZJESB-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.46
Rot. Bonds2

About N-(3-chloro-2-cyanophenyl)benzamide

N-(3-chloro-2-cyanophenyl)benzamide (PubChem CID 102229158) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(3-chloro-2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-cyanophenyl)benzamide
PubChem CID102229158
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC NameN-(3-chloro-2-cyanophenyl)benzamide
SMILESN#Cc1c(Cl)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H9ClN2O/c15-12-7-4-8-13(11(12)9-16)17-14(18)10-5-2-1-3-6-10/h1-8H,(H,17,18)
InChIKeyACQRDLOPYZJESB-UHFFFAOYSA-N
XLogP3.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(3-chloro-2-cyanoanilino)methyl]benzoic acid
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5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide
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1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
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2-[[3-(3-chloro-2-cyanophenoxy)benzoyl]amino]-N,N-dimethylbenzamide
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4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
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N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-cyanophenyl)benzamide?
The IUPAC name of N-(3-chloro-2-cyanophenyl)benzamide (CID 102229158) is N-(3-chloro-2-cyanophenyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-cyanophenyl)benzamide?
The canonical SMILES for N-(3-chloro-2-cyanophenyl)benzamide is N#Cc1c(Cl)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-cyanophenyl)benzamide?
The InChIKey is ACQRDLOPYZJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-7-4-8-13(11(12)9-16)17-14(18)10-5-2-1-3-6-10/h1-8H,(H,17,18).
What are the key properties of N-(3-chloro-2-cyanophenyl)benzamide?
N-(3-chloro-2-cyanophenyl)benzamide has a molecular weight of 256.69 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-cyanophenyl)benzamide is sourced from PubChem (CID 102229158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).