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

C15H16N2O4 — CID 134149302

IUPAC2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
SMILESO=C(Cc1ccccc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,16,18,20-21H,8-9H2,(H,17,19)
InChIKeyQVXJUGMCVSCLKQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.17
Rot. Bonds5

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

2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide (PubChem CID 134149302) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide.

Molecular Properties

Compound Name2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
PubChem CID134149302
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
SMILESO=C(Cc1ccccc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,16,18,20-21H,8-9H2,(H,17,19)
InChIKeyQVXJUGMCVSCLKQ-UHFFFAOYSA-N
XLogP1.17
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The IUPAC name of 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide (CID 134149302) is 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide.
What is the SMILES notation for 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The canonical SMILES for 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide is O=C(Cc1ccccc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The InChIKey is QVXJUGMCVSCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,16,18,20-21H,8-9H2,(H,17,19).
What are the key properties of 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide has a molecular weight of 288.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide is sourced from PubChem (CID 134149302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).