(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide

C21H18FN3O2 — CID 93330677

IUPAC(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccccc2-n2cccc2)C1=O
InChIInChI=1S/C21H18FN3O2/c22-15-6-5-7-16(14-15)23-20(26)17-10-13-25(21(17)27)19-9-2-1-8-18(19)24-11-3-4-12-24/h1-9,11-12,14,17H,10,13H2,(H,23,26)/t17-/m1/s1
InChIKeyQKRFJRJJIDKPTR-QGZVFWFLSA-N
MW363.39 g/mol
LogP3.61
Rot. Bonds4

About (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide

(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 93330677) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID93330677
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccccc2-n2cccc2)C1=O
InChIInChI=1S/C21H18FN3O2/c22-15-6-5-7-16(14-15)23-20(26)17-10-13-25(21(17)27)19-9-2-1-8-18(19)24-11-3-4-12-24/h1-9,11-12,14,17H,10,13H2,(H,23,26)/t17-/m1/s1
InChIKeyQKRFJRJJIDKPTR-QGZVFWFLSA-N
XLogP3.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46159323
(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991057
1-(2-bromophenyl)-N-(4-carbamoyl-3-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 56517734
(3S)-N-(3-fluorophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350856
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 109150621
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
CID 95317737
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide (CID 93330677) is (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccccc2-n2cccc2)C1=O.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QKRFJRJJIDKPTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-15-6-5-7-16(14-15)23-20(26)17-10-13-25(21(17)27)19-9-2-1-8-18(19)24-11-3-4-12-24/h1-9,11-12,14,17H,10,13H2,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93330677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).