2-(2-bromoanilino)-2-cyclohexylacetonitrile

C14H17BrN2 — CID 54886899

IUPAC2-(2-bromoanilino)-2-cyclohexylacetonitrile
SMILESN#CC(Nc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrN2/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2
InChIKeyBSSIFAYDKUFBJO-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-bromoanilino)-2-cyclohexylacetonitrile

2-(2-bromoanilino)-2-cyclohexylacetonitrile (PubChem CID 54886899) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-cyclohexylacetonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-cyclohexylacetonitrile
PubChem CID54886899
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-(2-bromoanilino)-2-cyclohexylacetonitrile
SMILESN#CC(Nc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrN2/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2
InChIKeyBSSIFAYDKUFBJO-UHFFFAOYSA-N
XLogP4.33
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromoanilino)-2-cyclohexylacetonitrile 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-bromoanilino)-2-cyclohexylacetonitrile?
The IUPAC name of 2-(2-bromoanilino)-2-cyclohexylacetonitrile (CID 54886899) is 2-(2-bromoanilino)-2-cyclohexylacetonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-2-cyclohexylacetonitrile?
The canonical SMILES for 2-(2-bromoanilino)-2-cyclohexylacetonitrile is N#CC(Nc1ccccc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromoanilino)-2-cyclohexylacetonitrile?
The InChIKey is BSSIFAYDKUFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2.
What are the key properties of 2-(2-bromoanilino)-2-cyclohexylacetonitrile?
2-(2-bromoanilino)-2-cyclohexylacetonitrile has a molecular weight of 293.21 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-(2-bromoanilino)-2-cyclohexylacetonitrile is sourced from PubChem (CID 54886899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).