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

C15H17FN2O3 — CID 11162137

IUPAC3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2ccccc2F)C1=O)NO
InChIInChI=1S/C15H17FN2O3/c16-13-4-2-1-3-11(13)7-9-18-10-8-12(15(18)20)5-6-14(19)17-21/h1-4,8,21H,5-7,9-10H2,(H,17,19)
InChIKeyHVLHYGNCKXYWNA-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.42
Rot. Bonds6

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

3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (PubChem CID 11162137) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
PubChem CID11162137
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2ccccc2F)C1=O)NO
InChIInChI=1S/C15H17FN2O3/c16-13-4-2-1-3-11(13)7-9-18-10-8-12(15(18)20)5-6-14(19)17-21/h1-4,8,21H,5-7,9-10H2,(H,17,19)
InChIKeyHVLHYGNCKXYWNA-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

3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanoic acid
CID 142676545
N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide
CID 87871388
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (CID 11162137) is 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is O=C(CCC1=CCN(CCc2ccccc2F)C1=O)NO.
What is the InChIKey of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The InChIKey is HVLHYGNCKXYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-13-4-2-1-3-11(13)7-9-18-10-8-12(15(18)20)5-6-14(19)17-21/h1-4,8,21H,5-7,9-10H2,(H,17,19).
What are the key properties of 3-[1-[2-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
3-[1-[2-(2-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-(2-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11162137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).