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

C14H15BrN2O3 — CID 11772128

IUPAC3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(Cc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C14H15BrN2O3/c15-12-4-1-10(2-5-12)9-17-8-7-11(14(17)19)3-6-13(18)16-20/h1-2,4-5,7,20H,3,6,8-9H2,(H,16,18)
InChIKeyRBDTUYJXXZIFKA-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.00
Rot. Bonds5

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

3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (PubChem CID 11772128) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
PubChem CID11772128
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(Cc2ccc(Br)cc2)C1=O)NO
InChIInChI=1S/C14H15BrN2O3/c15-12-4-1-10(2-5-12)9-17-8-7-11(14(17)19)3-6-13(18)16-20/h1-2,4-5,7,20H,3,6,8-9H2,(H,16,18)
InChIKeyRBDTUYJXXZIFKA-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.00
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-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide (CID 11772128) is 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is O=C(CCC1=CCN(Cc2ccc(Br)cc2)C1=O)NO.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
The InChIKey is RBDTUYJXXZIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-12-4-1-10(2-5-12)9-17-8-7-11(14(17)19)3-6-13(18)16-20/h1-2,4-5,7,20H,3,6,8-9H2,(H,16,18).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide?
3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide has a molecular weight of 339.19 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11772128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).