2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide

C15H13FN2O3 — CID 107693702

IUPAC2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide
SMILESNNC(=O)C(Oc1ccc(C=O)cc1F)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-12-8-10(9-19)6-7-13(12)21-14(15(20)18-17)11-4-2-1-3-5-11/h1-9,14H,17H2,(H,18,20)
InChIKeyDQBISFFZYIUJNE-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide

2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide (PubChem CID 107693702) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide
PubChem CID107693702
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide
SMILESNNC(=O)C(Oc1ccc(C=O)cc1F)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-12-8-10(9-19)6-7-13(12)21-14(15(20)18-17)11-4-2-1-3-5-11/h1-9,14H,17H2,(H,18,20)
InChIKeyDQBISFFZYIUJNE-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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

2-(2-fluorophenoxy)-2-phenylacetohydrazide
CID 63576514
2-(4-bromo-2-methylphenoxy)-2-phenylacetohydrazide
CID 63570205
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
2-(2-hydrazinyl-2-oxo-1-phenylethoxy)benzamide
CID 63576718
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 9201107
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169
2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
CID 21051383
(2R)-2-(2,4-difluorophenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 51645271
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide (CID 107693702) is 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide is NNC(=O)C(Oc1ccc(C=O)cc1F)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide?
The InChIKey is DQBISFFZYIUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-8-10(9-19)6-7-13(12)21-14(15(20)18-17)11-4-2-1-3-5-11/h1-9,14H,17H2,(H,18,20).
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide?
2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide has a molecular weight of 288.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide is sourced from PubChem (CID 107693702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).