4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide

C13H15BrF3NO2 — CID 81448376

IUPAC4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCOCC(C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H15BrF3NO2/c1-3-20-7-8(2)18-12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyLHHYHUHDWCIVBS-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.62
Rot. Bonds5

About 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide

4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 81448376) has the molecular formula C13H15BrF3NO2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID81448376
Molecular FormulaC13H15BrF3NO2
Molecular Weight354.17 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCOCC(C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H15BrF3NO2/c1-3-20-7-8(2)18-12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyLHHYHUHDWCIVBS-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81448480
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
4-bromo-N-(1-cyano-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449651
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide (CID 81448376) is 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide is CCOCC(C)NC(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LHHYHUHDWCIVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2/c1-3-20-7-8(2)18-12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 354.17 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81448376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).