2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide

C15H10Cl2N2O — CID 62105070

IUPAC2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-5-6-10(8-18)7-13(9)19-15(20)14-11(16)3-2-4-12(14)17/h2-7H,1H3,(H,19,20)
InChIKeyZKMLBUNRKJPIHG-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.43
Rot. Bonds2

About 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide

2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide (PubChem CID 62105070) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
PubChem CID62105070
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-5-6-10(8-18)7-13(9)19-15(20)14-11(16)3-2-4-12(14)17/h2-7H,1H3,(H,19,20)
InChIKeyZKMLBUNRKJPIHG-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

3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
5-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 55037313
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide (CID 62105070) is 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide is Cc1ccc(C#N)cc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide?
The InChIKey is ZKMLBUNRKJPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-5-6-10(8-18)7-13(9)19-15(20)14-11(16)3-2-4-12(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide?
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide 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 2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide is sourced from PubChem (CID 62105070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).