4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid

C11H11BrN2O4 — CID 3155815

IUPAC4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O4/c12-8-3-1-7(2-4-8)11(18)14-13-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyVMIZRPDOCYURHD-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.07
Rot. Bonds4

About 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid

4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid (PubChem CID 3155815) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
PubChem CID3155815
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O4/c12-8-3-1-7(2-4-8)11(18)14-13-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyVMIZRPDOCYURHD-UHFFFAOYSA-N
XLogP1.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 15380519
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide
CID 78879611
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide
CID 24539950
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
CID 24637598
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid (CID 3155815) is 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid is O=C(O)CCC(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid?
The InChIKey is VMIZRPDOCYURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-8-3-1-7(2-4-8)11(18)14-13-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid?
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid has a molecular weight of 315.12 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 3155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).