3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

C14H9FI2N2O2 — CID 136828048

IUPAC3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cccc(F)c1
InChIInChI=1S/C14H9FI2N2O2/c15-10-3-1-2-9(6-10)14(21)19-18-7-8-4-11(16)13(20)12(17)5-8/h1-7,20H,(H,19,21)/b18-7-
InChIKeyRXQFNEPQKNUJEB-WSVATBPTSA-N
MW510.04 g/mol
LogP3.50
Rot. Bonds3

About 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide

3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (PubChem CID 136828048) has the molecular formula C14H9FI2N2O2 and a molecular weight of 510.04 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
PubChem CID136828048
Molecular FormulaC14H9FI2N2O2
Molecular Weight510.04 g/mol
Exact Mass509.87
IUPAC Name3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cccc(F)c1
InChIInChI=1S/C14H9FI2N2O2/c15-10-3-1-2-9(6-10)14(21)19-18-7-8-4-11(16)13(20)12(17)5-8/h1-7,20H,(H,19,21)/b18-7-
InChIKeyRXQFNEPQKNUJEB-WSVATBPTSA-N
XLogP3.50
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.04
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135504491
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-methylbenzamide
CID 137051313
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide (CID 136828048) is 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(I)c(O)c(I)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
The InChIKey is RXQFNEPQKNUJEB-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9FI2N2O2/c15-10-3-1-2-9(6-10)14(21)19-18-7-8-4-11(16)13(20)12(17)5-8/h1-7,20H,(H,19,21)/b18-7-.
What are the key properties of 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide?
3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide has a molecular weight of 510.04 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136828048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).