2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide

C15H10Cl2N2O — CID 106861258

IUPAC2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c1-9-2-5-12(13(17)6-9)15(20)19-14-7-11(16)4-3-10(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyHDOUTCAIKKMNQL-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.43
Rot. Bonds2

About 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide

2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide (PubChem CID 106861258) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
PubChem CID106861258
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O/c1-9-2-5-12(13(17)6-9)15(20)19-14-7-11(16)4-3-10(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyHDOUTCAIKKMNQL-UHFFFAOYSA-N
XLogP4.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
CID 64914385
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
CID 1187146
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide (CID 106861258) is 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The InChIKey is HDOUTCAIKKMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-2-5-12(13(17)6-9)15(20)19-14-7-11(16)4-3-10(14)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide has a molecular weight of 305.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 106861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).