N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide

C13H18INO2 — CID 109479279

IUPACN-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cccc(I)c1C
InChIInChI=1S/C13H18INO2/c1-3-10(7-8-16)15-13(17)11-5-4-6-12(14)9(11)2/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17)
InChIKeySPXJSXZYIFGDHG-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.49
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide

N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide (PubChem CID 109479279) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide
PubChem CID109479279
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide
SMILESCCC(CCO)NC(=O)c1cccc(I)c1C
InChIInChI=1S/C13H18INO2/c1-3-10(7-8-16)15-13(17)11-5-4-6-12(14)9(11)2/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17)
InChIKeySPXJSXZYIFGDHG-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.49
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-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
(2R)-2-[(3-iodo-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119369297
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
CID 115767251
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide (CID 109479279) is N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide is CCC(CCO)NC(=O)c1cccc(I)c1C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide?
The InChIKey is SPXJSXZYIFGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-3-10(7-8-16)15-13(17)11-5-4-6-12(14)9(11)2/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide?
N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide is sourced from PubChem (CID 109479279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).