2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile

C14H10Cl2N2 — CID 3019006

IUPAC2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(N)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)13(8-17)12-6-5-11(18)7-14(12)16/h1-7,13H,18H2
InChIKeyGJYVIYJLSWIBLM-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.23
Rot. Bonds2

About 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile

2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile (PubChem CID 3019006) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile
PubChem CID3019006
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(N)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)13(8-17)12-6-5-11(18)7-14(12)16/h1-7,13H,18H2
InChIKeyGJYVIYJLSWIBLM-UHFFFAOYSA-N
XLogP4.23
TPSA49.81 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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile (CID 3019006) is 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile is N#CC(c1ccc(Cl)cc1)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile?
The InChIKey is GJYVIYJLSWIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)13(8-17)12-6-5-11(18)7-14(12)16/h1-7,13H,18H2.
What are the key properties of 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile?
2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 3019006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).