2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide

C14H9BrF3NO — CID 103857092

IUPAC2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1Br
InChIInChI=1S/C14H9BrF3NO/c1-7-3-2-4-8(11(7)15)14(20)19-10-6-5-9(16)12(17)13(10)18/h2-6H,1H3,(H,19,20)
InChIKeyZWEVASFMOFEEDJ-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.43
Rot. Bonds2

About 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide

2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 103857092) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID103857092
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC Name2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1Br
InChIInChI=1S/C14H9BrF3NO/c1-7-3-2-4-8(11(7)15)14(20)19-10-6-5-9(16)12(17)13(10)18/h2-6H,1H3,(H,19,20)
InChIKeyZWEVASFMOFEEDJ-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110865121
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide (CID 103857092) is 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is ZWEVASFMOFEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c1-7-3-2-4-8(11(7)15)14(20)19-10-6-5-9(16)12(17)13(10)18/h2-6H,1H3,(H,19,20).
What are the key properties of 2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide?
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 344.13 g/mol, XLogP of 4.43, 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-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 103857092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).