3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide

C15H11BrF3NO — CID 66477560

IUPAC3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H11BrF3NO/c1-9-5-6-11(15(17,18)19)8-13(9)20-14(21)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,20,21)
InChIKeyQQACMMKQIOEPJB-UHFFFAOYSA-N
MW358.16 g/mol
LogP5.03
Rot. Bonds2

About 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide

3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 66477560) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID66477560
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H11BrF3NO/c1-9-5-6-11(15(17,18)19)8-13(9)20-14(21)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,20,21)
InChIKeyQQACMMKQIOEPJB-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

4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide (CID 66477560) is 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QQACMMKQIOEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-9-5-6-11(15(17,18)19)8-13(9)20-14(21)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
3-bromo-N-[2-methyl-5-(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 3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 66477560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).