2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide

C15H12FIN2O3 — CID 55332310

IUPAC2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(I)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H12FIN2O3/c16-13-4-2-1-3-12(13)15(21)19-18-14(20)9-22-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyRWSDSZIBBPBEBT-UHFFFAOYSA-N
MW414.17 g/mol
LogP2.27
Rot. Bonds4

About 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide

2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide (PubChem CID 55332310) has the molecular formula C15H12FIN2O3 and a molecular weight of 414.17 g/mol. Its IUPAC name is 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
PubChem CID55332310
Molecular FormulaC15H12FIN2O3
Molecular Weight414.17 g/mol
Exact Mass413.99
IUPAC Name2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(I)cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H12FIN2O3/c16-13-4-2-1-3-12(13)15(21)19-18-14(20)9-22-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyRWSDSZIBBPBEBT-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
2-fluoro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634581
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141001
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-fluorobenzamide
CID 4950488
2-fluoro-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4950536
N'-[4-(4-bromophenoxy)butanoyl]-2-fluorobenzohydrazide
CID 2491312
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide (CID 55332310) is 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide is O=C(COc1ccc(I)cc1)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide?
The InChIKey is RWSDSZIBBPBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN2O3/c16-13-4-2-1-3-12(13)15(21)19-18-14(20)9-22-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide?
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide has a molecular weight of 414.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 55332310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).