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

C14H17BrINO2 — CID 103742313

IUPAC5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2I)C1(C)C
InChIInChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyXKGBJEAWTPNMDN-UHFFFAOYSA-N
MW438.10 g/mol
LogP3.60
Rot. Bonds3

About 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 103742313) has the molecular formula C14H17BrINO2 and a molecular weight of 438.10 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID103742313
Molecular FormulaC14H17BrINO2
Molecular Weight438.10 g/mol
Exact Mass436.95
IUPAC Name5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2I)C1(C)C
InChIInChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyXKGBJEAWTPNMDN-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.10
LogP ≤ 53.60
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-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-iodobenzamide
CID 114032600
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 114033241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 103742313) is 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2cc(Br)ccc2I)C1(C)C.
What is the InChIKey of 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is XKGBJEAWTPNMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 438.10 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 103742313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).