4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide

C16H14BrN3O3 — CID 168908017

IUPAC4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
SMILESCc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1C(=O)NO
InChIInChI=1S/C16H14BrN3O3/c1-10-8-11(6-7-12(10)16(22)20-23)9-18-19-15(21)13-4-2-3-5-14(13)17/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyIFZUHTXAZCKRFD-GIJQJNRQSA-N
MW376.21 g/mol
LogP2.64
Rot. Bonds4

About 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide

4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide (PubChem CID 168908017) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide.

Molecular Properties

Compound Name4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
PubChem CID168908017
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
SMILESCc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1C(=O)NO
InChIInChI=1S/C16H14BrN3O3/c1-10-8-11(6-7-12(10)16(22)20-23)9-18-19-15(21)13-4-2-3-5-14(13)17/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKeyIFZUHTXAZCKRFD-GIJQJNRQSA-N
XLogP2.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
CID 19060941
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
2-bromo-N-[1-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4241843
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
2-bromo-N-[(E)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 17245346

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide?
The IUPAC name of 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide (CID 168908017) is 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide.
What is the SMILES notation for 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide?
The canonical SMILES for 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide is Cc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1C(=O)NO.
What is the InChIKey of 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide?
The InChIKey is IFZUHTXAZCKRFD-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-8-11(6-7-12(10)16(22)20-23)9-18-19-15(21)13-4-2-3-5-14(13)17/h2-9,23H,1H3,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide?
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide has a molecular weight of 376.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide is sourced from PubChem (CID 168908017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).