N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H20FN3O4 — CID 42655979

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H20FN3O4/c1-13(26)14-3-2-4-17(9-14)24-19(27)11-23-21(29)15-10-20(28)25(12-15)18-7-5-16(22)6-8-18/h2-9,15H,10-12H2,1H3,(H,23,29)(H,24,27)
InChIKeySGMBEHBYQHIZPJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42655979) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42655979
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H20FN3O4/c1-13(26)14-3-2-4-17(9-14)24-19(27)11-23-21(29)15-10-20(28)25(12-15)18-7-5-16(22)6-8-18/h2-9,15H,10-12H2,1H3,(H,23,29)(H,24,27)
InChIKeySGMBEHBYQHIZPJ-UHFFFAOYSA-N
XLogP2.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39342065
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
[2-(3-acetylanilino)-2-oxoethyl] (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171557
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51720732
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 42655979) is N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)CNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SGMBEHBYQHIZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-13(26)14-3-2-4-17(9-14)24-19(27)11-23-21(29)15-10-20(28)25(12-15)18-7-5-16(22)6-8-18/h2-9,15H,10-12H2,1H3,(H,23,29)(H,24,27).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42655979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).