4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide

C14H10FIN2O2 — CID 4220213

IUPAC4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(I)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C14H10FIN2O2/c15-11-3-1-9(2-4-11)14(20)18-17-8-10-7-12(16)5-6-13(10)19/h1-8,19H,(H,18,20)
InChIKeyUTHKINBTBCADGB-UHFFFAOYSA-N
MW384.15 g/mol
LogP2.90
Rot. Bonds3

About 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide

4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide (PubChem CID 4220213) has the molecular formula C14H10FIN2O2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
PubChem CID4220213
Molecular FormulaC14H10FIN2O2
Molecular Weight384.15 g/mol
Exact Mass383.98
IUPAC Name4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(I)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C14H10FIN2O2/c15-11-3-1-9(2-4-11)14(20)18-17-8-10-7-12(16)5-6-13(10)19/h1-8,19H,(H,18,20)
InChIKeyUTHKINBTBCADGB-UHFFFAOYSA-N
XLogP2.90
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
N-[(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 3600864
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide (CID 4220213) is 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide is O=C(NN=Cc1cc(I)ccc1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
The InChIKey is UTHKINBTBCADGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O2/c15-11-3-1-9(2-4-11)14(20)18-17-8-10-7-12(16)5-6-13(10)19/h1-8,19H,(H,18,20).
What are the key properties of 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide?
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide has a molecular weight of 384.15 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4220213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).