2-chloro-4-(2,4-dimethylanilino)benzonitrile

C15H13ClN2 — CID 55194599

IUPAC2-chloro-4-(2,4-dimethylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13ClN2/c1-10-3-6-15(11(2)7-10)18-13-5-4-12(9-17)14(16)8-13/h3-8,18H,1-2H3
InChIKeyYZXKUNCAQPAAHW-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.57
Rot. Bonds2

About 2-chloro-4-(2,4-dimethylanilino)benzonitrile

2-chloro-4-(2,4-dimethylanilino)benzonitrile (PubChem CID 55194599) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethylanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethylanilino)benzonitrile
PubChem CID55194599
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-chloro-4-(2,4-dimethylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13ClN2/c1-10-3-6-15(11(2)7-10)18-13-5-4-12(9-17)14(16)8-13/h3-8,18H,1-2H3
InChIKeyYZXKUNCAQPAAHW-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
4-(2,4-dimethylanilino)benzonitrile
CID 29269980
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
2-bromo-4-(2-chloro-5-methylanilino)benzonitrile
CID 107635147
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
4-(4-bromo-2,3-dichloroanilino)-2-chlorobenzonitrile
CID 107790842
4-(3-bromo-5-methylanilino)-2-chlorobenzonitrile
CID 107583655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethylanilino)benzonitrile?
The IUPAC name of 2-chloro-4-(2,4-dimethylanilino)benzonitrile (CID 55194599) is 2-chloro-4-(2,4-dimethylanilino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2,4-dimethylanilino)benzonitrile?
The canonical SMILES for 2-chloro-4-(2,4-dimethylanilino)benzonitrile is Cc1ccc(Nc2ccc(C#N)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-chloro-4-(2,4-dimethylanilino)benzonitrile?
The InChIKey is YZXKUNCAQPAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-3-6-15(11(2)7-10)18-13-5-4-12(9-17)14(16)8-13/h3-8,18H,1-2H3.
What are the key properties of 2-chloro-4-(2,4-dimethylanilino)benzonitrile?
2-chloro-4-(2,4-dimethylanilino)benzonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethylanilino)benzonitrile is sourced from PubChem (CID 55194599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).