2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide

C18H25ClN2O — CID 4177946

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H25ClN2O/c19-15-10-8-14(9-11-15)17(21-12-4-5-13-21)18(22)20-16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2,(H,20,22)
InChIKeyAOKPFBYLJBVSBY-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide

2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide (PubChem CID 4177946) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
PubChem CID4177946
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H25ClN2O/c19-15-10-8-14(9-11-15)17(21-12-4-5-13-21)18(22)20-16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2,(H,20,22)
InChIKeyAOKPFBYLJBVSBY-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 93156034
methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 93011501
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide (CID 4177946) is 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide is O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is AOKPFBYLJBVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-15-10-8-14(9-11-15)17(21-12-4-5-13-21)18(22)20-16-6-2-1-3-7-16/h8-11,16-17H,1-7,12-13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide?
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 320.86 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4177946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).