N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide

C14H20INO2 — CID 66178734

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO2/c1-10(2)8-14(3,18)9-16-13(17)11-6-4-5-7-12(11)15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyGLBAZOHJRFORLC-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.82
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide (PubChem CID 66178734) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
PubChem CID66178734
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C14H20INO2/c1-10(2)8-14(3,18)9-16-13(17)11-6-4-5-7-12(11)15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyGLBAZOHJRFORLC-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.82
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

2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
2-(cyanomethylsulfanyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66178952
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178490
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide (CID 66178734) is N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide is CC(C)CC(C)(O)CNC(=O)c1ccccc1I.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide?
The InChIKey is GLBAZOHJRFORLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-10(2)8-14(3,18)9-16-13(17)11-6-4-5-7-12(11)15/h4-7,10,18H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide has a molecular weight of 361.22 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide is sourced from PubChem (CID 66178734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).