5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide

C13H15ClINO — CID 103747308

IUPAC5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
SMILESO=C(NCCC1CCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO/c14-10-4-5-12(15)11(8-10)13(17)16-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,16,17)
InChIKeyWKBUKUFUGQGPAT-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.86
Rot. Bonds4

About 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide

5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide (PubChem CID 103747308) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
PubChem CID103747308
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
SMILESO=C(NCCC1CCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO/c14-10-4-5-12(15)11(8-10)13(17)16-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,16,17)
InChIKeyWKBUKUFUGQGPAT-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
CID 103896306
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-iodobenzamide
CID 103767292
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide (CID 103747308) is 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide is O=C(NCCC1CCC1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide?
The InChIKey is WKBUKUFUGQGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c14-10-4-5-12(15)11(8-10)13(17)16-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,16,17).
What are the key properties of 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide?
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide has a molecular weight of 363.63 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide is sourced from PubChem (CID 103747308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).