2-(4-chloroanilino)-2-cyclohexylpropanenitrile

C15H19ClN2 — CID 54886371

IUPAC2-(4-chloroanilino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClN2/c1-15(11-17,12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h7-10,12,18H,2-6H2,1H3
InChIKeyAGLWOVDNICIFQR-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-chloroanilino)-2-cyclohexylpropanenitrile

2-(4-chloroanilino)-2-cyclohexylpropanenitrile (PubChem CID 54886371) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-cyclohexylpropanenitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-cyclohexylpropanenitrile
PubChem CID54886371
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(4-chloroanilino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C15H19ClN2/c1-15(11-17,12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h7-10,12,18H,2-6H2,1H3
InChIKeyAGLWOVDNICIFQR-UHFFFAOYSA-N
XLogP4.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-cyclohexylpropanenitrile?
The IUPAC name of 2-(4-chloroanilino)-2-cyclohexylpropanenitrile (CID 54886371) is 2-(4-chloroanilino)-2-cyclohexylpropanenitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-cyclohexylpropanenitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-cyclohexylpropanenitrile is CC(C#N)(Nc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-chloroanilino)-2-cyclohexylpropanenitrile?
The InChIKey is AGLWOVDNICIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-15(11-17,12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h7-10,12,18H,2-6H2,1H3.
What are the key properties of 2-(4-chloroanilino)-2-cyclohexylpropanenitrile?
2-(4-chloroanilino)-2-cyclohexylpropanenitrile has a molecular weight of 262.78 g/mol, XLogP of 4.61, 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-cyclohexylpropanenitrile is sourced from PubChem (CID 54886371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).