5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one

C17H16F2N2O3 — CID 138023364

IUPAC5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCC(F)(c2ccccc2F)C1
InChIInChI=1S/C17H16F2N2O3/c1-24-14-8-15(22)20-9-11(14)16(23)21-7-6-17(19,10-21)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyPRPIMAXUAQBMCP-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.23
Rot. Bonds3

About 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one

5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one (PubChem CID 138023364) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
PubChem CID138023364
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1C(=O)N1CCC(F)(c2ccccc2F)C1
InChIInChI=1S/C17H16F2N2O3/c1-24-14-8-15(22)20-9-11(14)16(23)21-7-6-17(19,10-21)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)
InChIKeyPRPIMAXUAQBMCP-UHFFFAOYSA-N
XLogP2.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
CID 154784378
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
CID 45081639
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
1-[4-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166403460
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167924843
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one (CID 138023364) is 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one is COc1cc(=O)[nH]cc1C(=O)N1CCC(F)(c2ccccc2F)C1.
What is the InChIKey of 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
The InChIKey is PRPIMAXUAQBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-24-14-8-15(22)20-9-11(14)16(23)21-7-6-17(19,10-21)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,22).
What are the key properties of 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one?
5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one has a molecular weight of 334.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 138023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).