N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C15H9F3I2N2O2 — CID 137066625

IUPACN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3I2N2O2/c16-15(17,18)10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(19)6-12(20)13(9)23/h1-7,23H,(H,22,24)/b21-7-
InChIKeyNPRCXNVYRUPOFY-YXSASFKJSA-N
MW560.05 g/mol
LogP4.38
Rot. Bonds3

About N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 137066625) has the molecular formula C15H9F3I2N2O2 and a molecular weight of 560.05 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID137066625
Molecular FormulaC15H9F3I2N2O2
Molecular Weight560.05 g/mol
Exact Mass559.87
IUPAC NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C\c1cc(I)cc(I)c1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3I2N2O2/c16-15(17,18)10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(19)6-12(20)13(9)23/h1-7,23H,(H,22,24)/b21-7-
InChIKeyNPRCXNVYRUPOFY-YXSASFKJSA-N
XLogP4.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.05
LogP ≤ 54.38
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'}

Analyze N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 135546449
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080586
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 137066625) is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(N/N=C\c1cc(I)cc(I)c1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is NPRCXNVYRUPOFY-YXSASFKJSA-N. The full InChI is InChI=1S/C15H9F3I2N2O2/c16-15(17,18)10-3-1-2-8(4-10)14(24)22-21-7-9-5-11(19)6-12(20)13(9)23/h1-7,23H,(H,22,24)/b21-7-.
What are the key properties of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 560.05 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137066625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).