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

C12H15FINO3 — CID 103799326

IUPAC4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C12H15FINO3/c1-18-7-9(4-5-16)15-12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyHZOUOZUGFMOIMS-UHFFFAOYSA-N
MW367.16 g/mol
LogP1.56
Rot. Bonds6

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

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide (PubChem CID 103799326) has the molecular formula C12H15FINO3 and a molecular weight of 367.16 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
PubChem CID103799326
Molecular FormulaC12H15FINO3
Molecular Weight367.16 g/mol
Exact Mass367.01
IUPAC Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C12H15FINO3/c1-18-7-9(4-5-16)15-12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyHZOUOZUGFMOIMS-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 51.56
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

4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide (CID 103799326) is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide is COCC(CCO)NC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide?
The InChIKey is HZOUOZUGFMOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FINO3/c1-18-7-9(4-5-16)15-12(17)10-3-2-8(13)6-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide?
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide has a molecular weight of 367.16 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 103799326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).