(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide

C20H18FN3O2 — CID 52898685

IUPAC(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cccc21
InChIInChI=1S/C20H18FN3O2/c1-23-10-9-14-16(6-4-8-17(14)23)22-20(26)13-11-19(25)24(12-13)18-7-3-2-5-15(18)21/h2-10,13H,11-12H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyWSQPDJHSKJOBDF-ZDUSSCGKSA-N
MW351.38 g/mol
LogP3.31
Rot. Bonds3

About (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 52898685) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID52898685
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cccc21
InChIInChI=1S/C20H18FN3O2/c1-23-10-9-14-16(6-4-8-17(14)23)22-20(26)13-11-19(25)24(12-13)18-7-3-2-5-15(18)21/h2-10,13H,11-12H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyWSQPDJHSKJOBDF-ZDUSSCGKSA-N
XLogP3.31
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1-methylindol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52897667
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30844050
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 52898685) is (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cn1ccc2c(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)cccc21.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSQPDJHSKJOBDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-23-10-9-14-16(6-4-8-17(14)23)22-20(26)13-11-19(25)24(12-13)18-7-3-2-5-15(18)21/h2-10,13H,11-12H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52898685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).