3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide

C12H13ClINO — CID 103737051

IUPAC3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)c(Cl)c1)C1CCC1
InChIInChI=1S/C12H13ClINO/c1-15(9-3-2-4-9)12(16)8-5-6-11(14)10(13)7-8/h5-7,9H,2-4H2,1H3
InChIKeyXCEGLTRTWHYFMX-UHFFFAOYSA-N
MW349.60 g/mol
LogP3.57
Rot. Bonds2

About 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide

3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide (PubChem CID 103737051) has the molecular formula C12H13ClINO and a molecular weight of 349.60 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
PubChem CID103737051
Molecular FormulaC12H13ClINO
Molecular Weight349.60 g/mol
Exact Mass348.97
IUPAC Name3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(I)c(Cl)c1)C1CCC1
InChIInChI=1S/C12H13ClINO/c1-15(9-3-2-4-9)12(16)8-5-6-11(14)10(13)7-8/h5-7,9H,2-4H2,1H3
InChIKeyXCEGLTRTWHYFMX-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
CID 102685010
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
3-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 81290465
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide?
The IUPAC name of 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide (CID 103737051) is 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide is CN(C(=O)c1ccc(I)c(Cl)c1)C1CCC1.
What is the InChIKey of 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide?
The InChIKey is XCEGLTRTWHYFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClINO/c1-15(9-3-2-4-9)12(16)8-5-6-11(14)10(13)7-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide?
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide has a molecular weight of 349.60 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide is sourced from PubChem (CID 103737051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).