2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide

C17H16BrN3O2 — CID 7224842

IUPAC2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
SMILESCC(=NNC(=O)CNC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H16BrN3O2/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-19-17(23)14-9-5-6-10-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyIHZIOZXMKSPSKO-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.72
Rot. Bonds5

About 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide

2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 7224842) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
PubChem CID7224842
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
SMILESCC(=NNC(=O)CNC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H16BrN3O2/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-19-17(23)14-9-5-6-10-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyIHZIOZXMKSPSKO-UHFFFAOYSA-N
XLogP2.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 46496056
2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
CID 171980714
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-hydroxy-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3487229
2-bromo-N-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
3-fluoro-N-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6271651
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide (CID 7224842) is 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide is CC(=NNC(=O)CNC(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is IHZIOZXMKSPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-12(13-7-3-2-4-8-13)20-21-16(22)11-19-17(23)14-9-5-6-10-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide?
2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 374.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 7224842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).