4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide

C15H13FN2O3 — CID 107458163

IUPAC4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2cccc(C=O)c2)c1
InChIInChI=1S/C15H13FN2O3/c16-14-5-4-11(15(20)18-17)7-12(14)9-21-13-3-1-2-10(6-13)8-19/h1-8H,9,17H2,(H,18,20)
InChIKeyWNZSPWMVWLEHRI-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.82
Rot. Bonds5

About 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide

4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide (PubChem CID 107458163) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
PubChem CID107458163
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2cccc(C=O)c2)c1
InChIInChI=1S/C15H13FN2O3/c16-14-5-4-11(15(20)18-17)7-12(14)9-21-13-3-1-2-10(6-13)8-19/h1-8H,9,17H2,(H,18,20)
InChIKeyWNZSPWMVWLEHRI-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
3-[(3,4,5-trifluoro-2-methylphenyl)methoxy]benzaldehyde
CID 144776054
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde
CID 126674158
3-fluoro-4-[(3-formylphenoxy)methyl]benzonitrile
CID 24708023
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide (CID 107458163) is 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(F)c(COc2cccc(C=O)c2)c1.
What is the InChIKey of 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide?
The InChIKey is WNZSPWMVWLEHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-14-5-4-11(15(20)18-17)7-12(14)9-21-13-3-1-2-10(6-13)8-19/h1-8H,9,17H2,(H,18,20).
What are the key properties of 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide?
4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide has a molecular weight of 288.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 107458163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).