2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide

C16H15FIN3O2 — CID 55523749

IUPAC2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide
SMILESCC(O/N=C(/N)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15FIN3O2/c1-10(16(22)20-14-8-6-13(18)7-9-14)23-21-15(19)11-2-4-12(17)5-3-11/h2-10H,1H3,(H2,19,21)(H,20,22)
InChIKeyVHJFDBGGACIUSM-UHFFFAOYSA-N
MW427.22 g/mol
LogP3.09
Rot. Bonds5

About 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide

2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide (PubChem CID 55523749) has the molecular formula C16H15FIN3O2 and a molecular weight of 427.22 g/mol. Its IUPAC name is 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide
PubChem CID55523749
Molecular FormulaC16H15FIN3O2
Molecular Weight427.22 g/mol
Exact Mass427.02
IUPAC Name2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide
SMILESCC(O/N=C(/N)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15FIN3O2/c1-10(16(22)20-14-8-6-13(18)7-9-14)23-21-15(19)11-2-4-12(17)5-3-11/h2-10H,1H3,(H2,19,21)(H,20,22)
InChIKeyVHJFDBGGACIUSM-UHFFFAOYSA-N
XLogP3.09
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72691924
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 166375707
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 2505187
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide?
The IUPAC name of 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide (CID 55523749) is 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide?
The canonical SMILES for 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide is CC(O/N=C(/N)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide?
The InChIKey is VHJFDBGGACIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN3O2/c1-10(16(22)20-14-8-6-13(18)7-9-14)23-21-15(19)11-2-4-12(17)5-3-11/h2-10H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide?
2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide has a molecular weight of 427.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 55523749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).