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

C15H17BrN2O3 — CID 11233491

IUPAC3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C15H17BrN2O3/c16-13-4-1-11(2-5-13)7-9-18-10-8-12(15(18)20)3-6-14(19)17-21/h1-2,4-5,8,21H,3,6-7,9-10H2,(H,17,19)
InChIKeyWUGVFIHQNRWBLP-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.05
Rot. Bonds6

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

3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (PubChem CID 11233491) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
PubChem CID11233491
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C15H17BrN2O3/c16-13-4-1-11(2-5-13)7-9-18-10-8-12(15(18)20)3-6-14(19)17-21/h1-2,4-5,8,21H,3,6-7,9-10H2,(H,17,19)
InChIKeyWUGVFIHQNRWBLP-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.05
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-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11150492
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
3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11303097
3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide
CID 11334453
N-hydroxy-3-[6-oxo-1-(2-phenylethyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11403497
N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
CID 11460011
3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11772128
N-Hydroxy-3-[2-oxo-1-(3-phenylpropyl)-1,2,5,6-tetrahydropyridin-3-yl]propionamide
CID 16720331
(E)-3-[1-[2-(3-bromophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846125
(E)-3-[1-[(4-bromophenyl)methyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846623

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (CID 11233491) is 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is O=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO.
What is the InChIKey of 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The InChIKey is WUGVFIHQNRWBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c16-13-4-1-11(2-5-13)7-9-18-10-8-12(15(18)20)3-6-14(19)17-21/h1-2,4-5,8,21H,3,6-7,9-10H2,(H,17,19).
What are the key properties of 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide has a molecular weight of 353.22 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11233491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).