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

C17H21ClN2O2 — CID 3112066

IUPACN-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)
InChIKeyQDQDCZORMCIXHY-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3112066) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3112066
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)
InChIKeyQDQDCZORMCIXHY-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3112066) is N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QDQDCZORMCIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3112066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).