2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C17H17FN2O2S — CID 71689628

IUPAC2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCc2cccs2)C1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O2S/c1-20-15(21)9-14(16(20)11-4-2-5-12(18)8-11)17(22)19-10-13-6-3-7-23-13/h2-8,14,16H,9-10H2,1H3,(H,19,22)
InChIKeyDZQOPBMCXWRWPO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 71689628) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID71689628
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NCc2cccs2)C1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O2S/c1-20-15(21)9-14(16(20)11-4-2-5-12(18)8-11)17(22)19-10-13-6-3-7-23-13/h2-8,14,16H,9-10H2,1H3,(H,19,22)
InChIKeyDZQOPBMCXWRWPO-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740514
(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898847
(2S,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898848
(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739886
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2R,3S)-2-(3-fluorophenyl)-6-oxo-1-(2-thiophen-2-ylethyl)piperidine-3-carboxylic acid
CID 95291425
(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 95741333
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 71689628) is 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)NCc2cccs2)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DZQOPBMCXWRWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-20-15(21)9-14(16(20)11-4-2-5-12(18)8-11)17(22)19-10-13-6-3-7-23-13/h2-8,14,16H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71689628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).