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

C15H10Cl2N2O — CID 107143579

IUPAC3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-11(3-2-4-12(9)16)15(20)19-14-6-5-10(8-18)7-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyODXPIYFJZMCCOQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.43
Rot. Bonds2

About 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide

3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide (PubChem CID 107143579) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
PubChem CID107143579
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-11(3-2-4-12(9)16)15(20)19-14-6-5-10(8-18)7-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyODXPIYFJZMCCOQ-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

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide (CID 107143579) is 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
The InChIKey is ODXPIYFJZMCCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-11(3-2-4-12(9)16)15(20)19-14-6-5-10(8-18)7-13(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide?
3-chloro-N-(2-chloro-4-cyanophenyl)-2-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 3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide is sourced from PubChem (CID 107143579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).