4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

C18H16F3N2O2P — CID 170046491

IUPAC4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccc(C(F)(F)P)cc2)C1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16F3N2O2P/c19-13-3-1-2-4-14(13)23-17(25)15-12(9-22-16(15)24)10-5-7-11(8-6-10)18(20,21)26/h1-8,12,15H,9,26H2,(H,22,24)(H,23,25)
InChIKeyURRPAGLFWUIWNQ-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.22
Rot. Bonds4

About 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 170046491) has the molecular formula C18H16F3N2O2P and a molecular weight of 380.31 g/mol. Its IUPAC name is 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID170046491
Molecular FormulaC18H16F3N2O2P
Molecular Weight380.31 g/mol
Exact Mass380.09
IUPAC Name4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(c2ccc(C(F)(F)P)cc2)C1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16F3N2O2P/c19-13-3-1-2-4-14(13)23-17(25)15-12(9-22-16(15)24)10-5-7-11(8-6-10)18(20,21)26/h1-8,12,15H,9,26H2,(H,22,24)(H,23,25)
InChIKeyURRPAGLFWUIWNQ-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4S)-4-(3,4-dihydro-2H-chromen-6-yl)-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411803
N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 142445131
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
(3R,4S)-4-(3,5-dimethylphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411830
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 165061569
(3S,4S)-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411972
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412150

Frequently Asked Questions

What is the IUPAC name of 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 170046491) is 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is O=C1NCC(c2ccc(C(F)(F)P)cc2)C1C(=O)Nc1ccccc1F.
What is the InChIKey of 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is URRPAGLFWUIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N2O2P/c19-13-3-1-2-4-14(13)23-17(25)15-12(9-22-16(15)24)10-5-7-11(8-6-10)18(20,21)26/h1-8,12,15H,9,26H2,(H,22,24)(H,23,25).
What are the key properties of 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 170046491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).