2-(5-chloro-2-methylanilino)-2-phenylacetonitrile

C15H13ClN2 — CID 2732646

IUPAC2-(5-chloro-2-methylanilino)-2-phenylacetonitrile
SMILESCc1ccc(Cl)cc1NC(C#N)c1ccccc1
InChIInChI=1S/C15H13ClN2/c1-11-7-8-13(16)9-14(11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,18H,1H3
InChIKeyUCFRKNNIFNAUOS-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.33
Rot. Bonds3

About 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile

2-(5-chloro-2-methylanilino)-2-phenylacetonitrile (PubChem CID 2732646) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-2-phenylacetonitrile
PubChem CID2732646
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-(5-chloro-2-methylanilino)-2-phenylacetonitrile
SMILESCc1ccc(Cl)cc1NC(C#N)c1ccccc1
InChIInChI=1S/C15H13ClN2/c1-11-7-8-13(16)9-14(11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,18H,1H3
InChIKeyUCFRKNNIFNAUOS-UHFFFAOYSA-N
XLogP4.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-methylanilino)-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-(5-chloro-2-methylanilino)-2-phenylacetonitrile?
The IUPAC name of 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile (CID 2732646) is 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile is Cc1ccc(Cl)cc1NC(C#N)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile?
The InChIKey is UCFRKNNIFNAUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-7-8-13(16)9-14(11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,18H,1H3.
What are the key properties of 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile?
2-(5-chloro-2-methylanilino)-2-phenylacetonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-2-phenylacetonitrile is sourced from PubChem (CID 2732646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).