(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 9374219

IUPAC(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-15-5-9-19(10-6-15)23-21(26)17-13-20(25)24(14-17)12-11-16-3-7-18(22)8-4-16/h3-10,17H,2,11-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyCKJXIWSGPJHXFZ-KRWDZBQOSA-N
MW354.43 g/mol
LogP3.42
Rot. Bonds6

About (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9374219) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9374219
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H23FN2O2/c1-2-15-5-9-19(10-6-15)23-21(26)17-13-20(25)24(14-17)12-11-16-3-7-18(22)8-4-16/h3-10,17H,2,11-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyCKJXIWSGPJHXFZ-KRWDZBQOSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964057
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964063
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
N-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183578
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184349
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374197
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17081645

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 9374219) is (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CKJXIWSGPJHXFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-15-5-9-19(10-6-15)23-21(26)17-13-20(25)24(14-17)12-11-16-3-7-18(22)8-4-16/h3-10,17H,2,11-14H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9374219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).