3-bromo-4-chloro-5-(trifluoromethyl)benzamide

C8H4BrClF3NO — CID 146676133

IUPAC3-bromo-4-chloro-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Br)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H4BrClF3NO/c9-5-2-3(7(14)15)1-4(6(5)10)8(11,12)13/h1-2H,(H2,14,15)
InChIKeyWGTUJABHJDQMAT-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.22
Rot. Bonds1

About 3-bromo-4-chloro-5-(trifluoromethyl)benzamide

3-bromo-4-chloro-5-(trifluoromethyl)benzamide (PubChem CID 146676133) has the molecular formula C8H4BrClF3NO and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-5-(trifluoromethyl)benzamide
PubChem CID146676133
Molecular FormulaC8H4BrClF3NO
Molecular Weight302.48 g/mol
Exact Mass300.91
IUPAC Name3-bromo-4-chloro-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Br)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H4BrClF3NO/c9-5-2-3(7(14)15)1-4(6(5)10)8(11,12)13/h1-2H,(H2,14,15)
InChIKeyWGTUJABHJDQMAT-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-4-chloro-5-(trifluoromethyl)phenyl]-2-chloroethanone
CID 146675887
methyl 3-bromo-4-chloro-5-(trifluoromethyl)benzoate
CID 170996226
1-[3,4-dibromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 175185257
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
CID 171001263
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
2-bromo-1-[3-bromo-4-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 171001768
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
3-bromo-4-(bromomethyl)-5-(trifluoromethyl)benzoate
CID 151020014

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-5-(trifluoromethyl)benzamide (CID 146676133) is 3-bromo-4-chloro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-5-(trifluoromethyl)benzamide is NC(=O)c1cc(Br)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-4-chloro-5-(trifluoromethyl)benzamide?
The InChIKey is WGTUJABHJDQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF3NO/c9-5-2-3(7(14)15)1-4(6(5)10)8(11,12)13/h1-2H,(H2,14,15).
What are the key properties of 3-bromo-4-chloro-5-(trifluoromethyl)benzamide?
3-bromo-4-chloro-5-(trifluoromethyl)benzamide has a molecular weight of 302.48 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 146676133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).