3,4-dihydroxy-N-(2-iodophenyl)benzamide

C13H10INO3 — CID 103956209

IUPAC3,4-dihydroxy-N-(2-iodophenyl)benzamide
SMILESO=C(Nc1ccccc1I)c1ccc(O)c(O)c1
InChIInChI=1S/C13H10INO3/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11(16)12(17)7-8/h1-7,16-17H,(H,15,18)
InChIKeyJWZPGHWPRFLESB-UHFFFAOYSA-N
MW355.13 g/mol
LogP2.95
Rot. Bonds2

About 3,4-dihydroxy-N-(2-iodophenyl)benzamide

3,4-dihydroxy-N-(2-iodophenyl)benzamide (PubChem CID 103956209) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-iodophenyl)benzamide
PubChem CID103956209
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name3,4-dihydroxy-N-(2-iodophenyl)benzamide
SMILESO=C(Nc1ccccc1I)c1ccc(O)c(O)c1
InChIInChI=1S/C13H10INO3/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11(16)12(17)7-8/h1-7,16-17H,(H,15,18)
InChIKeyJWZPGHWPRFLESB-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
3,4-dihydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107728885
4-benzamido-N-(2-iodophenyl)benzamide
CID 30766478

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-iodophenyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-iodophenyl)benzamide (CID 103956209) is 3,4-dihydroxy-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-iodophenyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-iodophenyl)benzamide is O=C(Nc1ccccc1I)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-iodophenyl)benzamide?
The InChIKey is JWZPGHWPRFLESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-9-3-1-2-4-10(9)15-13(18)8-5-6-11(16)12(17)7-8/h1-7,16-17H,(H,15,18).
What are the key properties of 3,4-dihydroxy-N-(2-iodophenyl)benzamide?
3,4-dihydroxy-N-(2-iodophenyl)benzamide 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 3,4-dihydroxy-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 103956209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).