5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide

C18H21FN2O4 — CID 134145201

IUPAC5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
SMILESO=C(CCCCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C18H21FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-10,20,22,24-25H,1-4,11H2,(H,21,23)
InChIKeyUFAOOOXRKXGDQK-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.48
Rot. Bonds8

About 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide

5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide (PubChem CID 134145201) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
PubChem CID134145201
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
SMILESO=C(CCCCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C18H21FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-10,20,22,24-25H,1-4,11H2,(H,21,23)
InChIKeyUFAOOOXRKXGDQK-UHFFFAOYSA-N
XLogP2.48
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.48
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': 'Aliphatic_long_chain', '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 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide (CID 134145201) is 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide is O=C(CCCCc1ccc(F)cc1)NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
The InChIKey is UFAOOOXRKXGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-14-8-5-12(6-9-14)3-1-2-4-16(23)21-20-11-13-7-10-15(22)18(25)17(13)24/h5-10,20,22,24-25H,1-4,11H2,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide?
5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide has a molecular weight of 348.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide is sourced from PubChem (CID 134145201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).