2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile

C15H13ClN2O — CID 28550578

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
SMILESCOc1cc(Cl)c(C)cc1Nc1ccccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-10-7-14(15(19-2)8-12(10)16)18-13-6-4-3-5-11(13)9-17/h3-8,18H,1-2H3
InChIKeyVAHBMTZYVPAXQQ-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile

2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile (PubChem CID 28550578) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
PubChem CID28550578
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
SMILESCOc1cc(Cl)c(C)cc1Nc1ccccc1C#N
InChIInChI=1S/C15H13ClN2O/c1-10-7-14(15(19-2)8-12(10)16)18-13-6-4-3-5-11(13)9-17/h3-8,18H,1-2H3
InChIKeyVAHBMTZYVPAXQQ-UHFFFAOYSA-N
XLogP4.27
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile 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

2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108956910
2-[[5-chloro-2-(2-methoxy-5-methyl-4-phenylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 59764481
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243
4-chloro-N-(3-fluoro-2-nitrophenyl)-2-methoxy-5-methylaniline
CID 63548373
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760975
3-(4-chloro-2-methoxy-5-methylanilino)-5-fluorobenzonitrile
CID 102814882
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-[[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930367

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile (CID 28550578) is 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile is COc1cc(Cl)c(C)cc1Nc1ccccc1C#N.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile?
The InChIKey is VAHBMTZYVPAXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-7-14(15(19-2)8-12(10)16)18-13-6-4-3-5-11(13)9-17/h3-8,18H,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile?
2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile has a molecular weight of 272.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile is sourced from PubChem (CID 28550578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).