4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide

C16H15BrN2O3 — CID 26912197

IUPAC4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrN2O3/c1-22-14-4-2-3-11(9-14)10-15(20)18-19-16(21)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRGQZLUQKVWDAND-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.46
Rot. Bonds4

About 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide

4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide (PubChem CID 26912197) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
PubChem CID26912197
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrN2O3/c1-22-14-4-2-3-11(9-14)10-15(20)18-19-16(21)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRGQZLUQKVWDAND-UHFFFAOYSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
3,4-dimethoxy-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46489323
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
N-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62909620
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide (CID 26912197) is 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide is COc1cccc(CC(=O)NNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide?
The InChIKey is RGQZLUQKVWDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-14-4-2-3-11(9-14)10-15(20)18-19-16(21)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide?
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide has a molecular weight of 363.21 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 26912197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).