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

C14H17BrINO2 — CID 103990210

IUPAC2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(I)ccc2Br)C1(C)C
InChIInChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(16)4-5-10(9)15/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyANGZXKIXZGRFLP-UHFFFAOYSA-N
MW438.10 g/mol
LogP3.60
Rot. Bonds3

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

2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 103990210) has the molecular formula C14H17BrINO2 and a molecular weight of 438.10 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID103990210
Molecular FormulaC14H17BrINO2
Molecular Weight438.10 g/mol
Exact Mass436.95
IUPAC Name2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(I)ccc2Br)C1(C)C
InChIInChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(16)4-5-10(9)15/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyANGZXKIXZGRFLP-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-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
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-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
2-bromo-5-fluoro-N-[(1R,3R)-3-hydroxy-2,2-dimethylcyclobutyl]benzamide
CID 124572619
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 103990210) is 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2cc(I)ccc2Br)C1(C)C.
What is the InChIKey of 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is ANGZXKIXZGRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(16)4-5-10(9)15/h4-6,11-12H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
2-bromo-5-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 2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 103990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).