4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide

C15H18BrF2NO2 — CID 103747020

IUPAC4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
SMILESCCOC1CC(NC(=O)c2c(F)cc(Br)cc2F)C1(C)C
InChIInChI=1S/C15H18BrF2NO2/c1-4-21-12-7-11(15(12,2)3)19-14(20)13-9(17)5-8(16)6-10(13)18/h5-6,11-12H,4,7H2,1-3H3,(H,19,20)
InChIKeyJEQSWGRXILOYJG-UHFFFAOYSA-N
MW362.21 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide

4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide (PubChem CID 103747020) has the molecular formula C15H18BrF2NO2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
PubChem CID103747020
Molecular FormulaC15H18BrF2NO2
Molecular Weight362.21 g/mol
Exact Mass361.05
IUPAC Name4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
SMILESCCOC1CC(NC(=O)c2c(F)cc(Br)cc2F)C1(C)C
InChIInChI=1S/C15H18BrF2NO2/c1-4-21-12-7-11(15(12,2)3)19-14(20)13-9(17)5-8(16)6-10(13)18/h5-6,11-12H,4,7H2,1-3H3,(H,19,20)
InChIKeyJEQSWGRXILOYJG-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 103707615
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824832
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide
CID 64851902
1-[(3-bromo-5-fluorobenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699249
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4,5-trifluoroaniline
CID 64850764
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114119108
2-(2-aminoethoxy)-N-(3-ethoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812070

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide (CID 103747020) is 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide is CCOC1CC(NC(=O)c2c(F)cc(Br)cc2F)C1(C)C.
What is the InChIKey of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide?
The InChIKey is JEQSWGRXILOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2NO2/c1-4-21-12-7-11(15(12,2)3)19-14(20)13-9(17)5-8(16)6-10(13)18/h5-6,11-12H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide?
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide has a molecular weight of 362.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide is sourced from PubChem (CID 103747020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).