N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide

C16H19FN2O2 — CID 79539437

IUPACN-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
SMILESO=C1CCCC1C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-14H,2-3,6-9H2,(H,18,21)
InChIKeyYOYXEUGGEGBKAH-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.19
Rot. Bonds2

About N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide

N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide (PubChem CID 79539437) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
PubChem CID79539437
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
SMILESO=C1CCCC1C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-14H,2-3,6-9H2,(H,18,21)
InChIKeyYOYXEUGGEGBKAH-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(4aS,8aR)-N-(3-chloro-4-fluorophenyl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carboxamide
CID 162489913
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 127769677
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
(2R)-N-(3-fluorophenyl)-2-[(1R)-1-hydroxypropyl]piperidine-1-carboxamide
CID 95628326
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide (CID 79539437) is N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide is O=C1CCCC1C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide?
The InChIKey is YOYXEUGGEGBKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-14H,2-3,6-9H2,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide?
N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79539437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).