2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

C14H17BrFNO2 — CID 113252929

IUPAC2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C
InChIInChI=1S/C14H17BrFNO2/c1-14(2)10(7-11(14)19-3)17-13(18)12-8(15)5-4-6-9(12)16/h4-6,10-11H,7H2,1-3H3,(H,17,18)
InChIKeyLCKMBADJJDOHHF-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.13
Rot. Bonds3

About 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 113252929) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID113252929
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C
InChIInChI=1S/C14H17BrFNO2/c1-14(2)10(7-11(14)19-3)17-13(18)12-8(15)5-4-6-9(12)16/h4-6,10-11H,7H2,1-3H3,(H,17,18)
InChIKeyLCKMBADJJDOHHF-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
CID 103733928
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
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-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
CID 104578735
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
CID 103747020
3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 103707615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 113252929) is 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is LCKMBADJJDOHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-14(2)10(7-11(14)19-3)17-13(18)12-8(15)5-4-6-9(12)16/h4-6,10-11H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 330.20 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 113252929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).