4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide

C17H14F2N2O3 — CID 135352308

IUPAC4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NOc1ccccc1
InChIInChI=1S/C17H14F2N2O3/c18-13-7-6-10(8-14(13)19)12-9-20-16(22)15(12)17(23)21-24-11-4-2-1-3-5-11/h1-8,12,15H,9H2,(H,20,22)(H,21,23)
InChIKeyBCAUKAOPVRFLIH-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.90
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide

4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide (PubChem CID 135352308) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide
PubChem CID135352308
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NOc1ccccc1
InChIInChI=1S/C17H14F2N2O3/c18-13-7-6-10(8-14(13)19)12-9-20-16(22)15(12)17(23)21-24-11-4-2-1-3-5-11/h1-8,12,15H,9H2,(H,20,22)(H,21,23)
InChIKeyBCAUKAOPVRFLIH-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
CID 135352294
(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
CID 135352296
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448486
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
(3R,4S)-4-(3,4-dihydro-2H-chromen-6-yl)-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411803
(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411875
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
(3R,4R)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135748338
(3R,4S)-N-(2,4-difluorophenyl)-4-[3-(2-methylpropoxy)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 134411890
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide (CID 135352308) is 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide is O=C1NCC(c2ccc(F)c(F)c2)C1C(=O)NOc1ccccc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide?
The InChIKey is BCAUKAOPVRFLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c18-13-7-6-10(8-14(13)19)12-9-20-16(22)15(12)17(23)21-24-11-4-2-1-3-5-11/h1-8,12,15H,9H2,(H,20,22)(H,21,23).
What are the key properties of 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide?
4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 135352308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).