2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile

C15H12Cl2N2 — CID 107107220

IUPAC2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
SMILESCc1cc(Cl)c(Nc2c(C)cccc2C#N)cc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-9-4-3-5-11(8-18)15(9)19-14-7-12(16)10(2)6-13(14)17/h3-7,19H,1-2H3
InChIKeyZKZGYYYLXJTJMT-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.23
Rot. Bonds2

About 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile

2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile (PubChem CID 107107220) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
PubChem CID107107220
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
SMILESCc1cc(Cl)c(Nc2c(C)cccc2C#N)cc1Cl
InChIInChI=1S/C15H12Cl2N2/c1-9-4-3-5-11(8-18)15(9)19-14-7-12(16)10(2)6-13(14)17/h3-7,19H,1-2H3
InChIKeyZKZGYYYLXJTJMT-UHFFFAOYSA-N
XLogP5.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile 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-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 107106269
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile?
The IUPAC name of 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile (CID 107107220) is 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile.
What is the SMILES notation for 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile?
The canonical SMILES for 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile is Cc1cc(Cl)c(Nc2c(C)cccc2C#N)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile?
The InChIKey is ZKZGYYYLXJTJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-9-4-3-5-11(8-18)15(9)19-14-7-12(16)10(2)6-13(14)17/h3-7,19H,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile?
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile has a molecular weight of 291.18 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile is sourced from PubChem (CID 107107220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).