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

C15H11BrF3NO — CID 60739755

IUPAC2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H11BrF3NO/c16-13-8-4-2-6-11(13)14(21)20-9-10-5-1-3-7-12(10)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyVWMRVZJOAPGYBJ-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.40
Rot. Bonds3

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

2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 60739755) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID60739755
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H11BrF3NO/c16-13-8-4-2-6-11(13)14(21)20-9-10-5-1-3-7-12(10)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyVWMRVZJOAPGYBJ-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 60739755) is 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1C(F)(F)F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VWMRVZJOAPGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c16-13-8-4-2-6-11(13)14(21)20-9-10-5-1-3-7-12(10)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 358.16 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60739755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).