2-(4-chloroanilino)-2-cyclopentylacetonitrile

C13H15ClN2 — CID 62071071

IUPAC2-(4-chloroanilino)-2-cyclopentylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClN2/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4H2
InChIKeyVKECWZXFXYKJQG-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-chloroanilino)-2-cyclopentylacetonitrile

2-(4-chloroanilino)-2-cyclopentylacetonitrile (PubChem CID 62071071) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-cyclopentylacetonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-cyclopentylacetonitrile
PubChem CID62071071
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(4-chloroanilino)-2-cyclopentylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClN2/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4H2
InChIKeyVKECWZXFXYKJQG-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-cyclopropylacetonitrile
CID 61310144
2-cyclohexyl-2-(4-methylanilino)acetonitrile
CID 54886450
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
CID 62071587
2-(4-chloroanilino)-2-cyclopentylethanol
CID 62072297
2-(3-chloroanilino)-2-(oxan-4-yl)acetonitrile
CID 55066228
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
2-(4-chlorophenyl)sulfanyl-2-cyclohexylacetonitrile
CID 78965843
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
2-(4-chloroanilino)propanenitrile
CID 60987659
2-(4-bromoanilino)-2-(4-tert-butylcyclohexyl)acetonitrile
CID 104575489
2-(2-bromoanilino)-2-cyclohexylacetonitrile
CID 54886899

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-cyclopentylacetonitrile?
The IUPAC name of 2-(4-chloroanilino)-2-cyclopentylacetonitrile (CID 62071071) is 2-(4-chloroanilino)-2-cyclopentylacetonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-cyclopentylacetonitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-cyclopentylacetonitrile is N#CC(Nc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 2-(4-chloroanilino)-2-cyclopentylacetonitrile?
The InChIKey is VKECWZXFXYKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-11-5-7-12(8-6-11)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4H2.
What are the key properties of 2-(4-chloroanilino)-2-cyclopentylacetonitrile?
2-(4-chloroanilino)-2-cyclopentylacetonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-cyclopentylacetonitrile is sourced from PubChem (CID 62071071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).