2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide

C13H18INO3 — CID 107859859

IUPAC2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CI)C(C)C)c1
InChIInChI=1S/C13H18INO3/c1-8(2)11(7-14)15-13(17)10-6-9(18-3)4-5-12(10)16/h4-6,8,11,16H,7H2,1-3H3,(H,15,17)
InChIKeyAIDWMMSJEMNBRD-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.59
Rot. Bonds5

About 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide

2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide (PubChem CID 107859859) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
PubChem CID107859859
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC Name2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC(CI)C(C)C)c1
InChIInChI=1S/C13H18INO3/c1-8(2)11(7-14)15-13(17)10-6-9(18-3)4-5-12(10)16/h4-6,8,11,16H,7H2,1-3H3,(H,15,17)
InChIKeyAIDWMMSJEMNBRD-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
CID 95359062
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 77039292
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-(dicyclopropylmethyl)-2-hydroxy-5-methoxybenzamide
CID 54943396
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide (CID 107859859) is 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC(CI)C(C)C)c1.
What is the InChIKey of 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide?
The InChIKey is AIDWMMSJEMNBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO3/c1-8(2)11(7-14)15-13(17)10-6-9(18-3)4-5-12(10)16/h4-6,8,11,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide?
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide has a molecular weight of 363.20 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 107859859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).