3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide

C14H14N2O4 — CID 175951204

IUPAC3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide
SMILESCc1ccc(NNC(=O)c2cc(O)c(O)c(O)c2)cc1
InChIInChI=1S/C14H14N2O4/c1-8-2-4-10(5-3-8)15-16-14(20)9-6-11(17)13(19)12(18)7-9/h2-7,15,17-19H,1H3,(H,16,20)
InChIKeyPCHTZRLMLUDICO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.87
Rot. Bonds3

About 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide

3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide (PubChem CID 175951204) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide
PubChem CID175951204
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide
SMILESCc1ccc(NNC(=O)c2cc(O)c(O)c(O)c2)cc1
InChIInChI=1S/C14H14N2O4/c1-8-2-4-10(5-3-8)15-16-14(20)9-6-11(17)13(19)12(18)7-9/h2-7,15,17-19H,1H3,(H,16,20)
InChIKeyPCHTZRLMLUDICO-UHFFFAOYSA-N
XLogP1.87
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 170554757
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
1-(4-chlorophenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 3309712
[2-(4-methylanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23763939
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324
ethyl 3-[2-(4-methylphenyl)hydrazinyl]-3-oxopropanoate
CID 91299813
1-ethyl-N'-(4-methylphenyl)-6-oxopyridine-3-carbohydrazide
CID 137484331
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
CID 58240558
2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
(3-bromo-4,5-dihydroxyphenyl)-(4-methylphenyl)methanone
CID 150034437
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide?
The IUPAC name of 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide (CID 175951204) is 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide?
The canonical SMILES for 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide is Cc1ccc(NNC(=O)c2cc(O)c(O)c(O)c2)cc1.
What is the InChIKey of 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide?
The InChIKey is PCHTZRLMLUDICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-2-4-10(5-3-8)15-16-14(20)9-6-11(17)13(19)12(18)7-9/h2-7,15,17-19H,1H3,(H,16,20).
What are the key properties of 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide?
3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide has a molecular weight of 274.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-N'-(4-methylphenyl)benzohydrazide is sourced from PubChem (CID 175951204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).