2-(3-chloroanilino)-4-methylbenzonitrile

C14H11ClN2 — CID 55194414

IUPAC2-(3-chloroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClN2/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8,17H,1H3
InChIKeyRJSFSQMEXNPYOA-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.26
Rot. Bonds2

About 2-(3-chloroanilino)-4-methylbenzonitrile

2-(3-chloroanilino)-4-methylbenzonitrile (PubChem CID 55194414) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(3-chloroanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-chloroanilino)-4-methylbenzonitrile
PubChem CID55194414
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(3-chloroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClN2/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8,17H,1H3
InChIKeyRJSFSQMEXNPYOA-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylanilino)-4-methylbenzonitrile
CID 55195560
4-methyl-2-[3-(trifluoromethoxy)anilino]benzonitrile
CID 63510416
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
2-bromo-4-(2-chloro-5-methylanilino)benzonitrile
CID 107635147
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(3-chloroanilino)-4-methylbenzonitrile (CID 55194414) is 2-(3-chloroanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-chloroanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(3-chloroanilino)-4-methylbenzonitrile is Cc1ccc(C#N)c(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chloroanilino)-4-methylbenzonitrile?
The InChIKey is RJSFSQMEXNPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8,17H,1H3.
What are the key properties of 2-(3-chloroanilino)-4-methylbenzonitrile?
2-(3-chloroanilino)-4-methylbenzonitrile has a molecular weight of 242.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-4-methylbenzonitrile is sourced from PubChem (CID 55194414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).