4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide

C15H15FN2O3 — CID 107458202

IUPAC4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1
InChIInChI=1S/C15H15FN2O3/c16-14-6-3-11(15(20)18-17)7-12(14)9-21-13-4-1-10(8-19)2-5-13/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyMONWFDLIJOXMTK-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.50
Rot. Bonds5

About 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide

4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide (PubChem CID 107458202) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
PubChem CID107458202
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1
InChIInChI=1S/C15H15FN2O3/c16-14-6-3-11(15(20)18-17)7-12(14)9-21-13-4-1-10(8-19)2-5-13/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyMONWFDLIJOXMTK-UHFFFAOYSA-N
XLogP1.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 110027237
4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
CID 107458163
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide (CID 107458202) is 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide is NNC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1.
What is the InChIKey of 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
The InChIKey is MONWFDLIJOXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-14-6-3-11(15(20)18-17)7-12(14)9-21-13-4-1-10(8-19)2-5-13/h1-7,19H,8-9,17H2,(H,18,20).
What are the key properties of 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide?
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide has a molecular weight of 290.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide is sourced from PubChem (CID 107458202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).