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

C15H15FN2O4 — CID 134151073

IUPAC2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C15H15FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,17,19,21-22H,7-8H2,(H,18,20)
InChIKeyWJFIXLCBCUBPKR-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.31
Rot. Bonds5

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

2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide (PubChem CID 134151073) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
PubChem CID134151073
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C15H15FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,17,19,21-22H,7-8H2,(H,18,20)
InChIKeyWJFIXLCBCUBPKR-UHFFFAOYSA-N
XLogP1.31
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.31
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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Related Compounds

Benserazide
CID 2327
Benserazide, (S)-
CID 6603743
L-Tyrosine, 3-hydroxy-, mixt. with serine 2-((2,3,4-trihydroxyphenyl)methyl)hydrazide
CID 123809
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
N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134147280
2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
CID 134149302

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide (CID 134151073) is 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide is O=C(Cc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
The InChIKey is WJFIXLCBCUBPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-11-4-1-9(2-5-11)7-13(20)18-17-8-10-3-6-12(19)15(22)14(10)21/h1-6,17,19,21-22H,7-8H2,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide?
2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide has a molecular weight of 306.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide is sourced from PubChem (CID 134151073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).