2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

C14H18INO2 — CID 113252946

IUPAC2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2I)C1(C)C
InChIInChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-6-4-5-7-10(9)15/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyQZIBNMMLSILECV-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.83
Rot. Bonds3

About 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 113252946) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID113252946
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2I)C1(C)C
InChIInChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-6-4-5-7-10(9)15/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyQZIBNMMLSILECV-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
2-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742275

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 113252946) is 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2ccccc2I)C1(C)C.
What is the InChIKey of 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is QZIBNMMLSILECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-6-4-5-7-10(9)15/h4-7,11-12H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 113252946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).