3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide

C15H17FN2O3 — CID 11150492

IUPAC3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2cccc(F)c2)C1=O)NO
InChIInChI=1S/C15H17FN2O3/c16-13-3-1-2-11(10-13)6-8-18-9-7-12(15(18)20)4-5-14(19)17-21/h1-3,7,10,21H,4-6,8-9H2,(H,17,19)
InChIKeyFMALPJXNAZBNSC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.42
Rot. Bonds6

About 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide

3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (PubChem CID 11150492) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
PubChem CID11150492
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2cccc(F)c2)C1=O)NO
InChIInChI=1S/C15H17FN2O3/c16-13-3-1-2-11(10-13)6-8-18-9-7-12(15(18)20)4-5-14(19)17-21/h1-3,7,10,21H,4-6,8-9H2,(H,17,19)
InChIKeyFMALPJXNAZBNSC-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-N-(2-phenylethyl)pentanediamide
CID 72734543
(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
CID 9879458
N-hydroxy-6-[[(E)-3-phenylprop-2-enoyl]amino]hexanamide
CID 9882059
N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11162880
N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11185330
N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11208082
N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231147
3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11233491
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
CID 11277337
N-hydroxy-3-[5-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-2H-pyrrol-4-yl]propanamide
CID 11290441
3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11303097

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (CID 11150492) is 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is O=C(CCC1=CCN(CCc2cccc(F)c2)C1=O)NO.
What is the InChIKey of 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The InChIKey is FMALPJXNAZBNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-3-1-2-11(10-13)6-8-18-9-7-12(15(18)20)4-5-14(19)17-21/h1-3,7,10,21H,4-6,8-9H2,(H,17,19).
What are the key properties of 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide has a molecular weight of 292.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11150492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).