2-bromo-3,5-bis(trifluoromethyl)benzamide

C9H4BrF6NO — CID 134640617

IUPAC2-bromo-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C9H4BrF6NO/c10-6-4(7(17)18)1-3(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyZPSUEJNTLOJUCC-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.59
Rot. Bonds1

About 2-bromo-3,5-bis(trifluoromethyl)benzamide

2-bromo-3,5-bis(trifluoromethyl)benzamide (PubChem CID 134640617) has the molecular formula C9H4BrF6NO and a molecular weight of 336.03 g/mol. Its IUPAC name is 2-bromo-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3,5-bis(trifluoromethyl)benzamide
PubChem CID134640617
Molecular FormulaC9H4BrF6NO
Molecular Weight336.03 g/mol
Exact Mass334.94
IUPAC Name2-bromo-3,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C9H4BrF6NO/c10-6-4(7(17)18)1-3(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18)
InChIKeyZPSUEJNTLOJUCC-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

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Related Compounds

methyl 2-bromo-3,5-bis(trifluoromethyl)benzoate
CID 134645650
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
2-[2-bromo-3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168601762
3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
3-bromo-4-chloro-5-(trifluoromethyl)benzamide
CID 146676133

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-3,5-bis(trifluoromethyl)benzamide (CID 134640617) is 2-bromo-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-3,5-bis(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is ZPSUEJNTLOJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF6NO/c10-6-4(7(17)18)1-3(8(11,12)13)2-5(6)9(14,15)16/h1-2H,(H2,17,18).
What are the key properties of 2-bromo-3,5-bis(trifluoromethyl)benzamide?
2-bromo-3,5-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 2-bromo-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 134640617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).