2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide

C19H13I2NO2 — CID 90645537

IUPAC2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)cc(I)c1O
InChIInChI=1S/C19H13I2NO2/c20-14-10-16(18(23)17(21)11-14)19(24)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-11,23H,(H,22,24)
InChIKeyIUHUYJVHOABGDI-UHFFFAOYSA-N
MW541.13 g/mol
LogP5.52
Rot. Bonds3

About 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide

2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide (PubChem CID 90645537) has the molecular formula C19H13I2NO2 and a molecular weight of 541.13 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
PubChem CID90645537
Molecular FormulaC19H13I2NO2
Molecular Weight541.13 g/mol
Exact Mass540.90
IUPAC Name2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)cc(I)c1O
InChIInChI=1S/C19H13I2NO2/c20-14-10-16(18(23)17(21)11-14)19(24)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-11,23H,(H,22,24)
InChIKeyIUHUYJVHOABGDI-UHFFFAOYSA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.13
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
CID 139689164
4-[(2,3,5-triiodobenzoyl)amino]benzoic acid
CID 63405162
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
1-hydroxy-N,4-diphenylnaphthalene-2-carboxamide
CID 141440048
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-(5-chloro-2-fluorophenyl)-2-hydroxy-3,5-diiodobenzamide
CID 11998244
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
CID 168801289
3-formamido-2-hydroxy-N-(4-phenylphenyl)benzamide
CID 18551363
N-[3,5-bis(phenylsulfanyl)phenyl]-2,3,5-triiodobenzamide
CID 46501325
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide?
The IUPAC name of 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide (CID 90645537) is 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide?
The InChIKey is IUHUYJVHOABGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13I2NO2/c20-14-10-16(18(23)17(21)11-14)19(24)22-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-11,23H,(H,22,24).
What are the key properties of 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide?
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide has a molecular weight of 541.13 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 90645537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).