3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide

C13H15ClINO — CID 103222229

IUPAC3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H15ClINO/c1-8(9-3-2-4-9)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyNYHDWOGCAHKHBM-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide

3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide (PubChem CID 103222229) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
PubChem CID103222229
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H15ClINO/c1-8(9-3-2-4-9)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyNYHDWOGCAHKHBM-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
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N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
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3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
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3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide (CID 103222229) is 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide is CC(NC(=O)c1ccc(I)c(Cl)c1)C1CCC1.
What is the InChIKey of 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide?
The InChIKey is NYHDWOGCAHKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c1-8(9-3-2-4-9)16-13(17)10-5-6-12(15)11(14)7-10/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide?
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide has a molecular weight of 363.63 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide is sourced from PubChem (CID 103222229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).