5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide

C13H17ClINO2 — CID 113254459

IUPAC5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
SMILESCCC(CCO)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H17ClINO2/c1-2-9(5-6-17)8-16-13(18)11-7-10(14)3-4-12(11)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyXSAORGWCRQBLOY-UHFFFAOYSA-N
MW381.64 g/mol
LogP3.08
Rot. Bonds6

About 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide

5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide (PubChem CID 113254459) has the molecular formula C13H17ClINO2 and a molecular weight of 381.64 g/mol. Its IUPAC name is 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
PubChem CID113254459
Molecular FormulaC13H17ClINO2
Molecular Weight381.64 g/mol
Exact Mass381.00
IUPAC Name5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
SMILESCCC(CCO)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H17ClINO2/c1-2-9(5-6-17)8-16-13(18)11-7-10(14)3-4-12(11)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyXSAORGWCRQBLOY-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
CID 114168869
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide (CID 113254459) is 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide is CCC(CCO)CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide?
The InChIKey is XSAORGWCRQBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO2/c1-2-9(5-6-17)8-16-13(18)11-7-10(14)3-4-12(11)15/h3-4,7,9,17H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide?
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide has a molecular weight of 381.64 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide is sourced from PubChem (CID 113254459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).