5-chloro-2-(3-chloro-2-methylanilino)benzonitrile

C14H10Cl2N2 — CID 63516498

IUPAC5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C14H10Cl2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3
InChIKeyPQZZOZBGRGSBQY-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.92
Rot. Bonds2

About 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile

5-chloro-2-(3-chloro-2-methylanilino)benzonitrile (PubChem CID 63516498) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
PubChem CID63516498
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C14H10Cl2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3
InChIKeyPQZZOZBGRGSBQY-UHFFFAOYSA-N
XLogP4.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(3-chloro-2-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

4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-chloro-2-(2-propan-2-ylanilino)benzonitrile
CID 63512062
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
5-chloro-2-(quinolin-5-ylamino)benzonitrile
CID 62493218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile?
The IUPAC name of 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile (CID 63516498) is 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile?
The canonical SMILES for 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile is Cc1c(Cl)cccc1Nc1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile?
The InChIKey is PQZZOZBGRGSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3.
What are the key properties of 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile?
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-2-methylanilino)benzonitrile is sourced from PubChem (CID 63516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).