2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide

C14H12INO3 — CID 113368797

IUPAC2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
SMILESCc1c(I)cccc1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H12INO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-6-5-9(17)7-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyRYMDGWUQYLSVLR-UHFFFAOYSA-N
MW369.16 g/mol
LogP3.26
Rot. Bonds2

About 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide

2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide (PubChem CID 113368797) has the molecular formula C14H12INO3 and a molecular weight of 369.16 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
PubChem CID113368797
Molecular FormulaC14H12INO3
Molecular Weight369.16 g/mol
Exact Mass368.99
IUPAC Name2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide
SMILESCc1c(I)cccc1NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H12INO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-6-5-9(17)7-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyRYMDGWUQYLSVLR-UHFFFAOYSA-N
XLogP3.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(3-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114256881
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433
2,4-dihydroxy-N-[2-methyl-4-(methylamino)phenyl]benzamide
CID 143020352
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
4-fluoro-2-hydroxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 103889353
N-(6-chloro-4-methyl-3-pyridinyl)-2,4-dihydroxybenzamide
CID 113266619
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740891

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide (CID 113368797) is 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide is Cc1c(I)cccc1NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide?
The InChIKey is RYMDGWUQYLSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO3/c1-8-11(15)3-2-4-12(8)16-14(19)10-6-5-9(17)7-13(10)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide?
2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide has a molecular weight of 369.16 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(3-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 113368797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).