2-chloro-N-(4-cyanophenyl)-4-methylbenzamide

C15H11ClN2O — CID 885545

IUPAC2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-2-7-13(14(16)8-10)15(19)18-12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChIKeyFMESBQMPIIAQFM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.77
Rot. Bonds2

About 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide

2-chloro-N-(4-cyanophenyl)-4-methylbenzamide (PubChem CID 885545) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
PubChem CID885545
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-2-7-13(14(16)8-10)15(19)18-12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChIKeyFMESBQMPIIAQFM-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
CID 122605265
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide (CID 885545) is 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide?
The InChIKey is FMESBQMPIIAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-2-7-13(14(16)8-10)15(19)18-12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide?
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide has a molecular weight of 270.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 885545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).