4-bromo-N'-(2-phenylacetyl)benzohydrazide

C15H13BrN2O2 — CID 2304118

IUPAC4-bromo-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c16-13-8-6-12(7-9-13)15(20)18-17-14(19)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyHCAYITYPIMWILC-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.45
Rot. Bonds3

About 4-bromo-N'-(2-phenylacetyl)benzohydrazide

4-bromo-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 2304118) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2-phenylacetyl)benzohydrazide
PubChem CID2304118
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-N'-(2-phenylacetyl)benzohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c16-13-8-6-12(7-9-13)15(20)18-17-14(19)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyHCAYITYPIMWILC-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-(2-phenylacetyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
CID 24637598
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2536174
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 15380519
4-bromo-N-phenylmethoxybenzamide
CID 41450559
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(2-phenylacetyl)benzohydrazide (CID 2304118) is 4-bromo-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(2-phenylacetyl)benzohydrazide is O=C(Cc1ccccc1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is HCAYITYPIMWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-13-8-6-12(7-9-13)15(20)18-17-14(19)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N'-(2-phenylacetyl)benzohydrazide?
4-bromo-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 333.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 2304118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).