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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Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
1-(4-Chlorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 217803
1-Cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 623482
(3r,4r)-1-Sulfamoyl-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(4-Chloro-Phenyl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2h-Pyridin-1-Yl)-Phenyl]-Amide}
CID 11785929
(3r,4r)-N-(4-Chlorophenyl)-N'-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-1-(2,2,2-Trifluoroethyl)pyrrolidine-3,4-Dicarboxamide
CID 46835135
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)carboxamide
CID 3160148

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).