N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide

C15H10BrF4NO2 — CID 118211362

IUPACN-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF4NO2/c16-10-4-5-13(12(17)8-10)21-14(22)7-9-2-1-3-11(6-9)23-15(18,19)20/h1-6,8H,7H2,(H,21,22)
InChIKeyDGUYLWROYKTNNO-UHFFFAOYSA-N
MW392.15 g/mol
LogP4.67
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 118211362) has the molecular formula C15H10BrF4NO2 and a molecular weight of 392.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID118211362
Molecular FormulaC15H10BrF4NO2
Molecular Weight392.15 g/mol
Exact Mass390.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF4NO2/c16-10-4-5-13(12(17)8-10)21-14(22)7-9-2-1-3-11(6-9)23-15(18,19)20/h1-6,8H,7H2,(H,21,22)
InChIKeyDGUYLWROYKTNNO-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 118211362) is N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DGUYLWROYKTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4NO2/c16-10-4-5-13(12(17)8-10)21-14(22)7-9-2-1-3-11(6-9)23-15(18,19)20/h1-6,8H,7H2,(H,21,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 392.15 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118211362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).