3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide

C11H13ClINO2 — CID 103209174

IUPAC3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
SMILESCCC(O)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c1-2-8(15)6-14-11(16)7-3-4-10(13)9(12)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyKXUQFFWCIBOSKL-UHFFFAOYSA-N
MW353.59 g/mol
LogP2.45
Rot. Bonds4

About 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide

3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide (PubChem CID 103209174) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
PubChem CID103209174
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC Name3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
SMILESCCC(O)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO2/c1-2-8(15)6-14-11(16)7-3-4-10(13)9(12)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyKXUQFFWCIBOSKL-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 52.45
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

3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
3-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide (CID 103209174) is 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide is CCC(O)CNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide?
The InChIKey is KXUQFFWCIBOSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c1-2-8(15)6-14-11(16)7-3-4-10(13)9(12)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide?
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide has a molecular weight of 353.59 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide is sourced from PubChem (CID 103209174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).