N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide

C15H10BrClF3NO3 — CID 16613994

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H10BrClF3NO3/c16-9-5-8(17)6-11(14(9)24-15(19)20)21-13(22)7-23-12-4-2-1-3-10(12)18/h1-6,15H,7H2,(H,21,22)
InChIKeyJZPDCPCQAMKTQM-UHFFFAOYSA-N
MW424.60 g/mol
LogP4.86
Rot. Bonds6

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 16613994) has the molecular formula C15H10BrClF3NO3 and a molecular weight of 424.60 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID16613994
Molecular FormulaC15H10BrClF3NO3
Molecular Weight424.60 g/mol
Exact Mass422.95
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H10BrClF3NO3/c16-9-5-8(17)6-11(14(9)24-15(19)20)21-13(22)7-23-12-4-2-1-3-10(12)18/h1-6,15H,7H2,(H,21,22)
InChIKeyJZPDCPCQAMKTQM-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide (CID 16613994) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is JZPDCPCQAMKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO3/c16-9-5-8(17)6-11(14(9)24-15(19)20)21-13(22)7-23-12-4-2-1-3-10(12)18/h1-6,15H,7H2,(H,21,22).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 424.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 16613994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).