2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile

C14H12ClN3 — CID 102623812

IUPAC2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile
SMILESN#CCc1cc(Nc2ccccc2Cl)ccc1N
InChIInChI=1S/C14H12ClN3/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9,18H,7,17H2
InChIKeyNOAZFIKGXLPTGL-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.73
Rot. Bonds3

About 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile

2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile (PubChem CID 102623812) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile
PubChem CID102623812
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile
SMILESN#CCc1cc(Nc2ccccc2Cl)ccc1N
InChIInChI=1S/C14H12ClN3/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9,18H,7,17H2
InChIKeyNOAZFIKGXLPTGL-UHFFFAOYSA-N
XLogP3.73
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile 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-[2-amino-5-(3-chloroanilino)phenyl]acetonitrile
CID 102623806
2-[2-amino-5-[2-(difluoromethoxy)anilino]phenyl]acetonitrile
CID 102623842
2-[2-amino-5-(2,4-dibromoanilino)phenyl]acetonitrile
CID 102624038
2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
CID 102623783
2-[2-amino-5-(3,5-dimethylanilino)phenyl]acetonitrile
CID 102623816
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-(2-bromo-4-methylanilino)phenyl]acetonitrile
CID 102623764
2-[2-amino-5-(3-methylsulfanylanilino)phenyl]acetonitrile
CID 102623761
2-[2-amino-5-(2-phenylethylamino)phenyl]acetonitrile
CID 102623736
2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
CID 102624818
2-[2-amino-5-(1-phenylethylamino)phenyl]acetonitrile
CID 102623713
2-[2-amino-5-(4-bromo-3-methoxyanilino)phenyl]acetonitrile
CID 102624589

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile (CID 102623812) is 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile is N#CCc1cc(Nc2ccccc2Cl)ccc1N.
What is the InChIKey of 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile?
The InChIKey is NOAZFIKGXLPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-12-3-1-2-4-14(12)18-11-5-6-13(17)10(9-11)7-8-16/h1-6,9,18H,7,17H2.
What are the key properties of 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile?
2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile is sourced from PubChem (CID 102623812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).