1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C12H13FN2O3 — CID 168696566

IUPAC1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(N)=O)CC2=O)cc1F
InChIInChI=1S/C12H13FN2O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H2,14,17)
InChIKeyRGPZFHUXCOMZEI-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.67
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696566) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696566
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(N)=O)CC2=O)cc1F
InChIInChI=1S/C12H13FN2O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H2,14,17)
InChIKeyRGPZFHUXCOMZEI-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961
(3-fluoro-4-methoxyphenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55325705
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[(3R)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 699072
1-[(3R)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6923106
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696566) is 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(N)=O)CC2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RGPZFHUXCOMZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-18-10-3-2-8(5-9(10)13)15-6-7(12(14)17)4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H2,14,17).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).