3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide

C14H12INO3 — CID 104632622

IUPAC3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12INO3/c1-16(10-3-5-11(17)6-4-10)14(19)9-2-7-12(15)13(18)8-9/h2-8,17-18H,1H3
InChIKeyVYLQEDDHMUNUGM-UHFFFAOYSA-N
MW369.16 g/mol
LogP2.98
Rot. Bonds2

About 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide

3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide (PubChem CID 104632622) has the molecular formula C14H12INO3 and a molecular weight of 369.16 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
PubChem CID104632622
Molecular FormulaC14H12INO3
Molecular Weight369.16 g/mol
Exact Mass368.99
IUPAC Name3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12INO3/c1-16(10-3-5-11(17)6-4-10)14(19)9-2-7-12(15)13(18)8-9/h2-8,17-18H,1H3
InChIKeyVYLQEDDHMUNUGM-UHFFFAOYSA-N
XLogP2.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-3-iodo-N-methylbenzamide
CID 28887982
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
3-hydroxy-N-(4-hydroxyphenyl)-4-iodobenzamide
CID 104629586
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide (CID 104632622) is 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide is CN(C(=O)c1ccc(I)c(O)c1)c1ccc(O)cc1.
What is the InChIKey of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide?
The InChIKey is VYLQEDDHMUNUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO3/c1-16(10-3-5-11(17)6-4-10)14(19)9-2-7-12(15)13(18)8-9/h2-8,17-18H,1H3.
What are the key properties of 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide?
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide has a molecular weight of 369.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 104632622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).