4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide

C15H13FN2O3 — CID 107693710

IUPAC4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(C=O)cc2F)cc1
InChIInChI=1S/C15H13FN2O3/c16-13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(5-2-10)15(20)18-17/h1-8H,9,17H2,(H,18,20)
InChIKeyIWGMSIQZVFHDPC-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.82
Rot. Bonds5

About 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide

4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide (PubChem CID 107693710) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
PubChem CID107693710
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(C=O)cc2F)cc1
InChIInChI=1S/C15H13FN2O3/c16-13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(5-2-10)15(20)18-17/h1-8H,9,17H2,(H,18,20)
InChIKeyIWGMSIQZVFHDPC-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

5-[(2-fluoro-4-formylphenoxy)methyl]furan-3-carbohydrazide
CID 107693712
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 107693729
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
CID 107689678
4-[(2-bromo-4-formylphenoxy)methyl]benzoate
CID 4745765
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide (CID 107693710) is 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2ccc(C=O)cc2F)cc1.
What is the InChIKey of 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide?
The InChIKey is IWGMSIQZVFHDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-13-7-11(8-19)3-6-14(13)21-9-10-1-4-12(5-2-10)15(20)18-17/h1-8H,9,17H2,(H,18,20).
What are the key properties of 4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide?
4-[(2-fluoro-4-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-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 107693710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).