3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide

C12H16INO4 — CID 113434933

IUPAC3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H16INO4/c1-18-7-9(4-5-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyYZWVZKXDBGLANB-UHFFFAOYSA-N
MW365.17 g/mol
LogP1.12
Rot. Bonds6

About 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide

3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide (PubChem CID 113434933) has the molecular formula C12H16INO4 and a molecular weight of 365.17 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
PubChem CID113434933
Molecular FormulaC12H16INO4
Molecular Weight365.17 g/mol
Exact Mass365.01
IUPAC Name3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H16INO4/c1-18-7-9(4-5-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyYZWVZKXDBGLANB-UHFFFAOYSA-N
XLogP1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide (CID 113434933) is 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide is COCC(CCO)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
The InChIKey is YZWVZKXDBGLANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO4/c1-18-7-9(4-5-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide?
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide has a molecular weight of 365.17 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 113434933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).