1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C14H17FN2O3 — CID 47006883

IUPAC1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C14H17FN2O3/c1-20-7-6-16-14(19)10-8-13(18)17(9-10)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19)
InChIKeyOIMCKMGEHLCRLO-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.94
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47006883) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47006883
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C14H17FN2O3/c1-20-7-6-16-14(19)10-8-13(18)17(9-10)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19)
InChIKeyOIMCKMGEHLCRLO-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113191224
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(3R)-1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 26615651
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190754

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 47006883) is 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCNC(=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OIMCKMGEHLCRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-7-6-16-14(19)10-8-13(18)17(9-10)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47006883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).