3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide

C13H10INO3 — CID 104629586

IUPAC3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(I)c(O)c1
InChIInChI=1S/C13H10INO3/c14-11-6-1-8(7-12(11)17)13(18)15-9-2-4-10(16)5-3-9/h1-7,16-17H,(H,15,18)
InChIKeyXQHPGUQXNZFJAL-UHFFFAOYSA-N
MW355.13 g/mol
LogP2.95
Rot. Bonds2

About 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide

3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide (PubChem CID 104629586) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
PubChem CID104629586
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(I)c(O)c1
InChIInChI=1S/C13H10INO3/c14-11-6-1-8(7-12(11)17)13(18)15-9-2-4-10(16)5-3-9/h1-7,16-17H,(H,15,18)
InChIKeyXQHPGUQXNZFJAL-UHFFFAOYSA-N
XLogP2.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
3-hydroxy-4-iodo-N-methylsulfonylbenzamide
CID 148644592
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-[(4-hydroxy-3,5-diiodobenzoyl)amino]benzoic acid
CID 3027490
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627344

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide (CID 104629586) is 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide is O=C(Nc1ccc(O)cc1)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide?
The InChIKey is XQHPGUQXNZFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-11-6-1-8(7-12(11)17)13(18)15-9-2-4-10(16)5-3-9/h1-7,16-17H,(H,15,18).
What are the key properties of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide?
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide has a molecular weight of 355.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide is sourced from PubChem (CID 104629586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).