5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid

C12H13BrN2O4 — CID 15380519

IUPAC5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O4/c13-9-6-4-8(5-7-9)12(19)15-14-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyQDRFIXKZZVSOQP-UHFFFAOYSA-N
MW329.15 g/mol
LogP1.47
Rot. Bonds5

About 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid

5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 15380519) has the molecular formula C12H13BrN2O4 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID15380519
Molecular FormulaC12H13BrN2O4
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O4/c13-9-6-4-8(5-7-9)12(19)15-14-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyQDRFIXKZZVSOQP-UHFFFAOYSA-N
XLogP1.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 51.47
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

4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-bromo-N'-[4-(5-bromothiophen-2-yl)butanoyl]benzohydrazide
CID 24539950
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
CID 18683979
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-cyclopentylsulfonylpropanoyl)benzohydrazide
CID 78879611

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid (CID 15380519) is 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid is O=C(O)CCCC(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is QDRFIXKZZVSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4/c13-9-6-4-8(5-7-9)12(19)15-14-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid?
5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 329.15 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 15380519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).