N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

C19H23FN2O2 — CID 20964283

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H23FN2O2/c20-15-6-8-16(9-7-15)22-13-11-17(19(22)24)18(23)21-12-10-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,23)
InChIKeyPBEZCOZWKLCYJF-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 20964283) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID20964283
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C19H23FN2O2/c20-15-6-8-16(9-7-15)22-13-11-17(19(22)24)18(23)21-12-10-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,23)
InChIKeyPBEZCOZWKLCYJF-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114
1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
1-[2-(cyclohexen-1-yl)ethyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564424
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 50797734
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42943937
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704050
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797683
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 20964283) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PBEZCOZWKLCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-15-6-8-16(9-7-15)22-13-11-17(19(22)24)18(23)21-12-10-14-4-2-1-3-5-14/h4,6-9,17H,1-3,5,10-13H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 20964283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).