4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide

C18H18BrN3O3 — CID 24637598

IUPAC4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H18BrN3O3/c19-15-8-6-14(7-9-15)18(25)20-11-10-16(23)21-22-17(24)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQGWVLDBCXBZUJV-UHFFFAOYSA-N
MW404.26 g/mol
LogP1.96
Rot. Bonds6

About 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide

4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide (PubChem CID 24637598) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
PubChem CID24637598
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H18BrN3O3/c19-15-8-6-14(7-9-15)18(25)20-11-10-16(23)21-22-17(24)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQGWVLDBCXBZUJV-UHFFFAOYSA-N
XLogP1.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 51.96
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-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
CID 4789969
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
4-bromo-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607477
N-[3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 7977854
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
benzyl-[3-[(4-bromobenzoyl)amino]propyl]-methylazanium
CID 9049338
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide (CID 24637598) is 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)Cc1ccccc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide?
The InChIKey is QGWVLDBCXBZUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c19-15-8-6-14(7-9-15)18(25)20-11-10-16(23)21-22-17(24)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide?
4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide has a molecular weight of 404.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide is sourced from PubChem (CID 24637598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).