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

C16H17FN2O4 — CID 134156603

IUPAC3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
SMILESO=C(CCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C16H17FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,18,20,22-23H,3,8-9H2,(H,19,21)
InChIKeyGXMMAPZKZPUYKK-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.70
Rot. Bonds6

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

3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide (PubChem CID 134156603) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
PubChem CID134156603
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
SMILESO=C(CCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C16H17FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,18,20,22-23H,3,8-9H2,(H,19,21)
InChIKeyGXMMAPZKZPUYKK-UHFFFAOYSA-N
XLogP1.70
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.70
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 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide (CID 134156603) is 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide is O=C(CCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide?
The InChIKey is GXMMAPZKZPUYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,18,20,22-23H,3,8-9H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide?
3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide has a molecular weight of 320.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide is sourced from PubChem (CID 134156603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).