N-(4-chlorophenyl)-3-cyanobenzamide

C14H9ClN2O — CID 1475891

IUPACN-(4-chlorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClN2O/c15-12-4-6-13(7-5-12)17-14(18)11-3-1-2-10(8-11)9-16/h1-8H,(H,17,18)
InChIKeyYBJPSEZUKHKQCL-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.46
Rot. Bonds2

About N-(4-chlorophenyl)-3-cyanobenzamide

N-(4-chlorophenyl)-3-cyanobenzamide (PubChem CID 1475891) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-cyanobenzamide
PubChem CID1475891
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC NameN-(4-chlorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClN2O/c15-12-4-6-13(7-5-12)17-14(18)11-3-1-2-10(8-11)9-16/h1-8H,(H,17,18)
InChIKeyYBJPSEZUKHKQCL-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

3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-cyanobenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-cyanobenzamide (CID 1475891) is N-(4-chlorophenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-cyanobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-cyanobenzamide?
The InChIKey is YBJPSEZUKHKQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-4-6-13(7-5-12)17-14(18)11-3-1-2-10(8-11)9-16/h1-8H,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-3-cyanobenzamide?
N-(4-chlorophenyl)-3-cyanobenzamide 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-(4-chlorophenyl)-3-cyanobenzamide is sourced from PubChem (CID 1475891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).