3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide

C13H18INO2 — CID 104628403

IUPAC3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H18INO2/c1-4-13(3,5-2)15-12(17)9-6-7-10(14)11(16)8-9/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyNYEWNLIYWWZXCS-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.31
Rot. Bonds4

About 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide

3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide (PubChem CID 104628403) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
PubChem CID104628403
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H18INO2/c1-4-13(3,5-2)15-12(17)9-6-7-10(14)11(16)8-9/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyNYEWNLIYWWZXCS-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
CID 103212403
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
CID 114103306
N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide
CID 107729059
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
3-hydroxy-4-iodo-N-methylsulfonylbenzamide
CID 148644592
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
3-hydroxy-4-[(3-hydroxy-4-iodobenzoyl)amino]-3-methylbutanoic acid
CID 114103303

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide (CID 104628403) is 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is NYEWNLIYWWZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-4-13(3,5-2)15-12(17)9-6-7-10(14)11(16)8-9/h6-8,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide?
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 347.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 104628403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).