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

C16H19BrN2O3 — CID 11303097

IUPAC3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCCc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C16H19BrN2O3/c17-14-6-3-12(4-7-14)2-1-10-19-11-9-13(16(19)21)5-8-15(20)18-22/h3-4,6-7,9,22H,1-2,5,8,10-11H2,(H,18,20)
InChIKeyNFQWJBPDKABLDH-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.44
Rot. Bonds7

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

3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (PubChem CID 11303097) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
PubChem CID11303097
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(CCCc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C16H19BrN2O3/c17-14-6-3-12(4-7-14)2-1-10-19-11-9-13(16(19)21)5-8-15(20)18-22/h3-4,6-7,9,22H,1-2,5,8,10-11H2,(H,18,20)
InChIKeyNFQWJBPDKABLDH-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (CID 11303097) is 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is O=C(CCC1=CCN(CCCc2ccc(Br)cc2)C1=O)NO.
What is the InChIKey of 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The InChIKey is NFQWJBPDKABLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c17-14-6-3-12(4-7-14)2-1-10-19-11-9-13(16(19)21)5-8-15(20)18-22/h3-4,6-7,9,22H,1-2,5,8,10-11H2,(H,18,20).
What are the key properties of 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide has a molecular weight of 367.24 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-bromophenyl)propyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11303097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).