1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C17H21ClN2O2 — CID 2926635

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-6-8-15(9-7-13)20-11-12(10-16(20)21)17(22)19-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,22)
InChIKeyQJFRFUBKSBOHBL-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2926635) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2926635
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-6-8-15(9-7-13)20-11-12(10-16(20)21)17(22)19-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,22)
InChIKeyQJFRFUBKSBOHBL-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2926635) is 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QJFRFUBKSBOHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-6-8-15(9-7-13)20-11-12(10-16(20)21)17(22)19-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2926635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).