4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide

C14H13BrN2O4 — CID 134132191

IUPAC4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
InChIKeyQZSKUOPGEYXPDL-UHFFFAOYSA-N
MW353.17 g/mol
LogP2.00
Rot. Bonds4

About 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide

4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (PubChem CID 134132191) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
PubChem CID134132191
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
InChIKeyQZSKUOPGEYXPDL-UHFFFAOYSA-N
XLogP2.00
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (CID 134132191) is 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is O=C(NNCc1ccc(O)c(O)c1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The InChIKey is QZSKUOPGEYXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21).
What are the key properties of 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide has a molecular weight of 353.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is sourced from PubChem (CID 134132191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).