5-bromo-N-ethyl-2-(trifluoromethyl)benzamide

C10H9BrF3NO — CID 146021308

IUPAC5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-2-15-9(16)7-5-6(11)3-4-8(7)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyVLEQHSFNSMXMCZ-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide

5-bromo-N-ethyl-2-(trifluoromethyl)benzamide (PubChem CID 146021308) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
PubChem CID146021308
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-2-15-9(16)7-5-6(11)3-4-8(7)10(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyVLEQHSFNSMXMCZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
CID 171361983
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 171921407
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
5-bromo-N-(3,3-difluorocyclobutyl)-2-(trifluoromethyl)benzamide
CID 146021313
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide (CID 146021308) is 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide is CCNC(=O)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The InChIKey is VLEQHSFNSMXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-2-15-9(16)7-5-6(11)3-4-8(7)10(12,13)14/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide has a molecular weight of 296.09 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146021308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).