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

C14H18INO2 — CID 103742295

IUPAC4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccc(I)cc2)C1(C)C
InChIInChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyVZGPZWGOALDZCJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.83
Rot. Bonds3

About 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 103742295) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID103742295
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccc(I)cc2)C1(C)C
InChIInChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyVZGPZWGOALDZCJ-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

N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742275
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 103742295) is 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2ccc(I)cc2)C1(C)C.
What is the InChIKey of 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is VZGPZWGOALDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-14(2)11(8-12(14)18-3)16-13(17)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
4-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 4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 103742295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).