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

C14H14N2O4 — CID 134147280

IUPACN'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-11-7-6-10(12(18)13(11)19)8-15-16-14(20)9-4-2-1-3-5-9/h1-7,15,17-19H,8H2,(H,16,20)
InChIKeyMMUNIUXTVZOGQG-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.24
Rot. Bonds4

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

N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (PubChem CID 134147280) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
PubChem CID134147280
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-11-7-6-10(12(18)13(11)19)8-15-16-14(20)9-4-2-1-3-5-9/h1-7,15,17-19H,8H2,(H,16,20)
InChIKeyMMUNIUXTVZOGQG-UHFFFAOYSA-N
XLogP1.24
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.24
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 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

Related Compounds

3,4,5-Trihydroxybenzhydrazide
CID 592744
Pandacostat
CID 135928012
2,3-dihydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 24773968
4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134132191
4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134133579
4-fluoro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134134648
3-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
CID 134135354
5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
CID 134145201
5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
CID 134145978
4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134146070
2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
CID 134149302
4-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134150601

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The IUPAC name of N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (CID 134147280) is N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.
What is the SMILES notation for N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The canonical SMILES for N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is O=C(NNCc1ccc(O)c(O)c1O)c1ccccc1.
What is the InChIKey of N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The InChIKey is MMUNIUXTVZOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11-7-6-10(12(18)13(11)19)8-15-16-14(20)9-4-2-1-3-5-9/h1-7,15,17-19H,8H2,(H,16,20).
What are the key properties of N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide has a molecular weight of 274.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is sourced from PubChem (CID 134147280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).