2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide

C15H11BrF3NO — CID 103857081

IUPAC2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1Br
InChIInChI=1S/C15H11BrF3NO/c1-9-5-4-6-10(13(9)16)14(21)20-12-8-3-2-7-11(12)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyYFPAFMPRDFKUOH-UHFFFAOYSA-N
MW358.16 g/mol
LogP5.03
Rot. Bonds2

About 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide

2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 103857081) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID103857081
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1Br
InChIInChI=1S/C15H11BrF3NO/c1-9-5-4-6-10(13(9)16)14(21)20-12-8-3-2-7-11(12)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyYFPAFMPRDFKUOH-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.16
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455780
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2-tert-butyl-4-formylphenyl)-3-methylbenzamide
CID 156788893
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide (CID 103857081) is 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YFPAFMPRDFKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-9-5-4-6-10(13(9)16)14(21)20-12-8-3-2-7-11(12)15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide?
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 358.16 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 103857081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).