4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide

C16H13BrClN3O3 — CID 168907848

IUPAC4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1Cl)C(=O)c1ccccc1Br
InChIInChI=1S/C16H13BrClN3O3/c1-21(16(23)12-4-2-3-5-13(12)17)19-9-11-7-6-10(8-14(11)18)15(22)20-24/h2-9,24H,1H3,(H,20,22)/b19-9+
InChIKeyBUKZKVWODCVYAV-DJKKODMXSA-N
MW410.66 g/mol
LogP3.33
Rot. Bonds4

About 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide

4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide (PubChem CID 168907848) has the molecular formula C16H13BrClN3O3 and a molecular weight of 410.66 g/mol. Its IUPAC name is 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
PubChem CID168907848
Molecular FormulaC16H13BrClN3O3
Molecular Weight410.66 g/mol
Exact Mass408.98
IUPAC Name4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
SMILESCN(/N=C/c1ccc(C(=O)NO)cc1Cl)C(=O)c1ccccc1Br
InChIInChI=1S/C16H13BrClN3O3/c1-21(16(23)12-4-2-3-5-13(12)17)19-9-11-7-6-10(8-14(11)18)15(22)20-24/h2-9,24H,1H3,(H,20,22)/b19-9+
InChIKeyBUKZKVWODCVYAV-DJKKODMXSA-N
XLogP3.33
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 53.33
H-Bond Donors ≤ 52
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'}

Analyze 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide 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-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907975
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907937
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
methyl (E)-2-(2-bromophenyl)-3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 25179457
2-bromo-N-[4-[[(3,5-dichloro-2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3473423
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide (CID 168907848) is 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide is CN(/N=C/c1ccc(C(=O)NO)cc1Cl)C(=O)c1ccccc1Br.
What is the InChIKey of 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide?
The InChIKey is BUKZKVWODCVYAV-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13BrClN3O3/c1-21(16(23)12-4-2-3-5-13(12)17)19-9-11-7-6-10(8-14(11)18)15(22)20-24/h2-9,24H,1H3,(H,20,22)/b19-9+.
What are the key properties of 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide?
4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide has a molecular weight of 410.66 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide is sourced from PubChem (CID 168907848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).