N-benzyl-4-bromo-2-(trifluoromethyl)benzamide

C15H11BrF3NO — CID 67173765

IUPACN-benzyl-4-bromo-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF3NO/c16-11-6-7-12(13(8-11)15(17,18)19)14(21)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
InChIKeyVPJJYULJXGGCRZ-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.40
Rot. Bonds3

About N-benzyl-4-bromo-2-(trifluoromethyl)benzamide

N-benzyl-4-bromo-2-(trifluoromethyl)benzamide (PubChem CID 67173765) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is N-benzyl-4-bromo-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-2-(trifluoromethyl)benzamide
PubChem CID67173765
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC NameN-benzyl-4-bromo-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF3NO/c16-11-6-7-12(13(8-11)15(17,18)19)14(21)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)
InChIKeyVPJJYULJXGGCRZ-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 N-benzyl-4-bromo-2-(trifluoromethyl)benzamide?
The IUPAC name of N-benzyl-4-bromo-2-(trifluoromethyl)benzamide (CID 67173765) is N-benzyl-4-bromo-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzyl-4-bromo-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-benzyl-4-bromo-2-(trifluoromethyl)benzamide is O=C(NCc1ccccc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-benzyl-4-bromo-2-(trifluoromethyl)benzamide?
The InChIKey is VPJJYULJXGGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c16-11-6-7-12(13(8-11)15(17,18)19)14(21)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21).
What are the key properties of N-benzyl-4-bromo-2-(trifluoromethyl)benzamide?
N-benzyl-4-bromo-2-(trifluoromethyl)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 N-benzyl-4-bromo-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 67173765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).