2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide

C17H23FN2O3 — CID 111460652

IUPAC2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C17H23FN2O3/c1-11(2)15(21)7-8-19-17(23)13-10-12(5-6-14(13)18)20-9-3-4-16(20)22/h5-6,10-11,15,21H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyAJELJTNYWLQTAD-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.09
Rot. Bonds6

About 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide

2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 111460652) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID111460652
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C17H23FN2O3/c1-11(2)15(21)7-8-19-17(23)13-10-12(5-6-14(13)18)20-9-3-4-16(20)22/h5-6,10-11,15,21H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyAJELJTNYWLQTAD-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzyl-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 125152279
(2R,3R)-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 124696081
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
1-[3-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124590598
2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460606
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
1-[4-fluoro-3-[4-(2-methylbutan-2-yl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 138005284
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567
2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
CID 126785518
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide (CID 111460652) is 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide is CC(C)C(O)CCNC(=O)c1cc(N2CCCC2=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AJELJTNYWLQTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-11(2)15(21)7-8-19-17(23)13-10-12(5-6-14(13)18)20-9-3-4-16(20)22/h5-6,10-11,15,21H,3-4,7-9H2,1-2H3,(H,19,23).
What are the key properties of 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide?
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 322.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 111460652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).