2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide

C15H19BrFNO2 — CID 103733928

IUPAC2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C
InChIInChI=1S/C15H19BrFNO2/c1-4-20-12-8-11(15(12,2)3)18-14(19)13-9(16)6-5-7-10(13)17/h5-7,11-12H,4,8H2,1-3H3,(H,18,19)
InChIKeyWPJCPPHIEQOBLO-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.52
Rot. Bonds4

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

2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide (PubChem CID 103733928) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
PubChem CID103733928
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C
InChIInChI=1S/C15H19BrFNO2/c1-4-20-12-8-11(15(12,2)3)18-14(19)13-9(16)6-5-7-10(13)17/h5-7,11-12H,4,8H2,1-3H3,(H,18,19)
InChIKeyWPJCPPHIEQOBLO-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
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
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164
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
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
CID 103707614
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956514
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
CID 104578735
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824832
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide (CID 103733928) is 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide is CCOC1CC(NC(=O)c2c(F)cccc2Br)C1(C)C.
What is the InChIKey of 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide?
The InChIKey is WPJCPPHIEQOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-4-20-12-8-11(15(12,2)3)18-14(19)13-9(16)6-5-7-10(13)17/h5-7,11-12H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide?
2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide has a molecular weight of 344.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide is sourced from PubChem (CID 103733928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).