4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide

C14H17BrF3NO2 — CID 105343037

IUPAC4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO2/c1-4-21-13(2,3)8-19-12(20)10-6-5-9(15)7-11(10)14(16,17)18/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyMQFOTUYIRFFQNY-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.01
Rot. Bonds5

About 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 105343037) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID105343037
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC Name4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO2/c1-4-21-13(2,3)8-19-12(20)10-6-5-9(15)7-11(10)14(16,17)18/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyMQFOTUYIRFFQNY-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
5-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 107286657
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide (CID 105343037) is 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide is CCOC(C)(C)CNC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is MQFOTUYIRFFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c1-4-21-13(2,3)8-19-12(20)10-6-5-9(15)7-11(10)14(16,17)18/h5-7H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 368.19 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 105343037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).