2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide

C11H14INO3 — CID 114504277

IUPAC2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCI)c1
InChIInChI=1S/C11H14INO3/c1-16-8-3-4-10(14)9(7-8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyWHAILLJCFLCXDS-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.96
Rot. Bonds5

About 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide

2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide (PubChem CID 114504277) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
PubChem CID114504277
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCI)c1
InChIInChI=1S/C11H14INO3/c1-16-8-3-4-10(14)9(7-8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyWHAILLJCFLCXDS-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide
CID 15887985
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide (CID 114504277) is 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCCI)c1.
What is the InChIKey of 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide?
The InChIKey is WHAILLJCFLCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-16-8-3-4-10(14)9(7-8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide?
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide has a molecular weight of 335.14 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide is sourced from PubChem (CID 114504277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).