2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

C16H13FN2O4 — CID 6904640

IUPAC2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-7-5-11(6-8-13)16(22)19-18-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)/b18-9+
InChIKeyVEHJAWWDCMVFFW-GIJQJNRQSA-N
MW316.29 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6904640) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6904640
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4/c17-13-7-5-11(6-8-13)16(22)19-18-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)/b18-9+
InChIKeyVEHJAWWDCMVFFW-GIJQJNRQSA-N
XLogP2.05
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzoic (2-methoxybenzylidene)hydrazide
CID 9554484
3-fluoro-N'-[4-methoxy-3-(phenoxymethyl)benzylidene]benzohydrazide
CID 5431715
[2-(Phenylacetyl-hydrazonomethyl)-phenoxy]-acetic acid
CID 6908212
Benzoic acid 2-[(4-methoxy-benzoyl)-hydrazonomethyl]-phenyl ester
CID 9558377
4-fluoro-N'-(2-isopropoxybenzylidene)benzohydrazide
CID 6874664
N'-[(E)-{4-[(4-fluorobenzyl)oxy]phenyl}methylidene]benzohydrazide
CID 9580240
[3-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6877457
(2-{(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)hydrazinylidene]methyl}phenoxy)acetic acid
CID 6888285
2-[2-[(E)-[[3-(diethylsulfamoyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6900346
4-[(E)-[[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 6902747
[2-(2-{[(4-Tert-butylbenzoyl)amino]acetyl}carbohydrazonoyl)phenoxy]acetic acid
CID 9600336
4-methyl-N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]benzohydrazide
CID 9637453

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 6904640) is 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is VEHJAWWDCMVFFW-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-13-7-5-11(6-8-13)16(22)19-18-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)/b18-9+.
What are the key properties of 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 316.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6904640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).