2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide

C12H16INO3 — CID 107859798

IUPAC2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16INO3/c1-7(2)8(6-13)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17)
InChIKeyOUNWCFRHXAQJBT-UHFFFAOYSA-N
MW349.17 g/mol
LogP2.29
Rot. Bonds4

About 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide

2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide (PubChem CID 107859798) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
PubChem CID107859798
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC Name2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CI)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16INO3/c1-7(2)8(6-13)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17)
InChIKeyOUNWCFRHXAQJBT-UHFFFAOYSA-N
XLogP2.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
2-chloro-N-(1-iodo-3-methylbutan-2-yl)-3-methylbenzamide
CID 107859884
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
3-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107860048
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 107689580

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide (CID 107859798) is 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide is CC(C)C(CI)NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide?
The InChIKey is OUNWCFRHXAQJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3/c1-7(2)8(6-13)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17).
What are the key properties of 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide?
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide has a molecular weight of 349.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107859798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).