5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide

C12H15ClINO2 — CID 113268309

IUPAC5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
SMILESCC(C)C(O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClINO2/c1-7(2)11(16)6-15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyGTLKYYWKZAAAKE-UHFFFAOYSA-N
MW367.61 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide

5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide (PubChem CID 113268309) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
PubChem CID113268309
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC Name5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
SMILESCC(C)C(O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClINO2/c1-7(2)11(16)6-15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyGTLKYYWKZAAAKE-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 52.69
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

5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
CID 114168869
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide (CID 113268309) is 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide is CC(C)C(O)CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide?
The InChIKey is GTLKYYWKZAAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c1-7(2)11(16)6-15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide?
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide has a molecular weight of 367.61 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide is sourced from PubChem (CID 113268309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).