4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide

C17H17BrN2O4 — CID 78805092

IUPAC4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(OC)c(CC(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-16(21)19-20-17(22)11-3-5-13(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRVJNBODXGYKNBJ-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.47
Rot. Bonds5

About 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide

4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide (PubChem CID 78805092) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
PubChem CID78805092
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(OC)c(CC(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-16(21)19-20-17(22)11-3-5-13(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRVJNBODXGYKNBJ-UHFFFAOYSA-N
XLogP2.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)methylamino]-2-oxoethyl]benzamide
CID 33108134
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 28560333
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide (CID 78805092) is 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide is COc1ccc(OC)c(CC(=O)NNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide?
The InChIKey is RVJNBODXGYKNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-16(21)19-20-17(22)11-3-5-13(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide?
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 78805092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).