4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide

C13H13BrN2O2 — CID 7964442

IUPAC4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide
SMILESC/C=C/C=C/C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2/c1-2-3-4-5-12(17)15-16-13(18)10-6-8-11(14)9-7-10/h2-9H,1H3,(H,15,17)(H,16,18)/b3-2+,5-4+
InChIKeyMZKPQDYOBVQWPJ-MQQKCMAXSA-N
MW309.16 g/mol
LogP2.34
Rot. Bonds3

About 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide

4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide (PubChem CID 7964442) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide
PubChem CID7964442
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide
SMILESC/C=C/C=C/C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2/c1-2-3-4-5-12(17)15-16-13(18)10-6-8-11(14)9-7-10/h2-9H,1H3,(H,15,17)(H,16,18)/b3-2+,5-4+
InChIKeyMZKPQDYOBVQWPJ-MQQKCMAXSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]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'-[(2E,4E)-hexa-2,4-dienoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036806
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 9155917
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-ethoxy-N-[4-[[[(2E,4E)-hexa-2,4-dienoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26774617
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
N'-[(2E,4E)-hexa-2,4-dienoyl]pyrazine-2-carbohydrazide
CID 24618527
3-bromo-4-(hexa-2,4-dienoylamino)benzoic acid
CID 77034280
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide (CID 7964442) is 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide is C/C=C/C=C/C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide?
The InChIKey is MZKPQDYOBVQWPJ-MQQKCMAXSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-3-4-5-12(17)15-16-13(18)10-6-8-11(14)9-7-10/h2-9H,1H3,(H,15,17)(H,16,18)/b3-2+,5-4+.
What are the key properties of 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide?
4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide has a molecular weight of 309.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]benzohydrazide is sourced from PubChem (CID 7964442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).