4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide

C12H13BrF3NO2 — CID 81433232

IUPAC4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-2-19-6-5-17-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyRXOXTEWXRWUMNP-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.23
Rot. Bonds5

About 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide

4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 81433232) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID81433232
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-2-19-6-5-17-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyRXOXTEWXRWUMNP-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
CID 103819837
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-[3-(2-chloroethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106306628
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802
4-bromo-N-(1-ethoxypropan-2-yl)-3-(trifluoromethyl)benzamide
CID 81448376
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
CID 115866905
4-bromo-3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 60730880
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide (CID 81433232) is 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide is CCOCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is RXOXTEWXRWUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-2-19-6-5-17-11(18)8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 340.14 g/mol, XLogP of 3.23, 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-ethoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81433232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).