2-(4-chloroanilino)-2-methylpropanenitrile

C10H11ClN2 — CID 60719830

IUPAC2-(4-chloroanilino)-2-methylpropanenitrile
SMILESCC(C)(C#N)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,13H,1-2H3
InChIKeyATVLYANZYINJSK-UHFFFAOYSA-N
MW194.67 g/mol
LogP3.05
Rot. Bonds2

About 2-(4-chloroanilino)-2-methylpropanenitrile

2-(4-chloroanilino)-2-methylpropanenitrile (PubChem CID 60719830) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-methylpropanenitrile
PubChem CID60719830
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name2-(4-chloroanilino)-2-methylpropanenitrile
SMILESCC(C)(C#N)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,13H,1-2H3
InChIKeyATVLYANZYINJSK-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloroanilino)-2-methylpropanenitrile 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-chloroanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(4-chloroanilino)-2-methylpropanenitrile (CID 60719830) is 2-(4-chloroanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-methylpropanenitrile is CC(C)(C#N)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-methylpropanenitrile?
The InChIKey is ATVLYANZYINJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,13H,1-2H3.
What are the key properties of 2-(4-chloroanilino)-2-methylpropanenitrile?
2-(4-chloroanilino)-2-methylpropanenitrile has a molecular weight of 194.67 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-methylpropanenitrile is sourced from PubChem (CID 60719830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).