5-bromo-2,4-bis(trifluoromethyl)benzamide

C9H4BrF6NO — CID 134640615

IUPAC5-bromo-2,4-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Br)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF6NO/c10-6-1-3(7(17)18)4(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyVAADZEWGBWTLBU-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.59
Rot. Bonds1

About 5-bromo-2,4-bis(trifluoromethyl)benzamide

5-bromo-2,4-bis(trifluoromethyl)benzamide (PubChem CID 134640615) has the molecular formula C9H4BrF6NO and a molecular weight of 336.03 g/mol. Its IUPAC name is 5-bromo-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2,4-bis(trifluoromethyl)benzamide
PubChem CID134640615
Molecular FormulaC9H4BrF6NO
Molecular Weight336.03 g/mol
Exact Mass334.94
IUPAC Name5-bromo-2,4-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Br)c(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF6NO/c10-6-1-3(7(17)18)4(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyVAADZEWGBWTLBU-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2,4-bis(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

1-[2,5-dibromo-4-(trifluoromethyl)phenyl]ethanone
CID 171005665
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927
2-bromo-3,5-bis(trifluoromethyl)benzamide
CID 134640617
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
methyl 4-bromo-2,5-bis(trifluoromethyl)benzoate
CID 18925692
5-bromo-2-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171009025
5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
2-bromo-5-nitro-4-(trifluoromethyl)benzamide
CID 171003210
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of 5-bromo-2,4-bis(trifluoromethyl)benzamide (CID 134640615) is 5-bromo-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 5-bromo-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for 5-bromo-2,4-bis(trifluoromethyl)benzamide is NC(=O)c1cc(Br)c(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is VAADZEWGBWTLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF6NO/c10-6-1-3(7(17)18)4(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18).
What are the key properties of 5-bromo-2,4-bis(trifluoromethyl)benzamide?
5-bromo-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 336.03 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 134640615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).