1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C19H23ClN2O2 — CID 110373994

IUPAC1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c20-15-6-8-16(9-7-15)22-17(10-11-18(22)23)19(24)21-13-12-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,24)
InChIKeyVXOWIXVUHOJLLE-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373994) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110373994
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c20-15-6-8-16(9-7-15)22-17(10-11-18(22)23)19(24)21-13-12-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,24)
InChIKeyVXOWIXVUHOJLLE-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
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CID 92887732
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113183680
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
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1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
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2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
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CID 109045014
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 122174912
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110373994) is 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCCC1=CCCCC1)C1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VXOWIXVUHOJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-15-6-8-16(9-7-15)22-17(10-11-18(22)23)19(24)21-13-12-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).