3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H9BrF3NO — CID 104851794

IUPAC3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c1-6-2-7(4-8(11)3-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyGULFCZAJKLBIJB-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 104851794) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID104851794
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c1-6-2-7(4-8(11)3-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyGULFCZAJKLBIJB-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 104851794) is 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(Br)cc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GULFCZAJKLBIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6-2-7(4-8(11)3-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 296.09 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 104851794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).