2-(2,4-dichloroanilino)-2-phenylacetonitrile

C14H10Cl2N2 — CID 2732688

IUPAC2-(2,4-dichloroanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-7-13(12(16)8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H
InChIKeyNOFMNLLZKPVXFA-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.67
Rot. Bonds3

About 2-(2,4-dichloroanilino)-2-phenylacetonitrile

2-(2,4-dichloroanilino)-2-phenylacetonitrile (PubChem CID 2732688) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-2-phenylacetonitrile
PubChem CID2732688
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name2-(2,4-dichloroanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2/c15-11-6-7-13(12(16)8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H
InChIKeyNOFMNLLZKPVXFA-UHFFFAOYSA-N
XLogP4.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichloroanilino)-2-phenylacetonitrile 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-(2,4-dichloroanilino)-2-phenylacetonitrile?
The IUPAC name of 2-(2,4-dichloroanilino)-2-phenylacetonitrile (CID 2732688) is 2-(2,4-dichloroanilino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(2,4-dichloroanilino)-2-phenylacetonitrile?
The canonical SMILES for 2-(2,4-dichloroanilino)-2-phenylacetonitrile is N#CC(Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichloroanilino)-2-phenylacetonitrile?
The InChIKey is NOFMNLLZKPVXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-11-6-7-13(12(16)8-11)18-14(9-17)10-4-2-1-3-5-10/h1-8,14,18H.
What are the key properties of 2-(2,4-dichloroanilino)-2-phenylacetonitrile?
2-(2,4-dichloroanilino)-2-phenylacetonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-2-phenylacetonitrile is sourced from PubChem (CID 2732688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).