N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide

C15H10BrCl2F2NO3 — CID 16613972

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H10BrCl2F2NO3/c16-11-5-9(18)6-12(14(11)24-15(19)20)21-13(22)7-23-10-3-1-8(17)2-4-10/h1-6,15H,7H2,(H,21,22)
InChIKeyLSTCGGLLQGQEDT-UHFFFAOYSA-N
MW441.06 g/mol
LogP5.37
Rot. Bonds6

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 16613972) has the molecular formula C15H10BrCl2F2NO3 and a molecular weight of 441.06 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID16613972
Molecular FormulaC15H10BrCl2F2NO3
Molecular Weight441.06 g/mol
Exact Mass438.92
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H10BrCl2F2NO3/c16-11-5-9(18)6-12(14(11)24-15(19)20)21-13(22)7-23-10-3-1-8(17)2-4-10/h1-6,15H,7H2,(H,21,22)
InChIKeyLSTCGGLLQGQEDT-UHFFFAOYSA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.06
LogP ≤ 55.37
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-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide (CID 16613972) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is LSTCGGLLQGQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2F2NO3/c16-11-5-9(18)6-12(14(11)24-15(19)20)21-13(22)7-23-10-3-1-8(17)2-4-10/h1-6,15H,7H2,(H,21,22).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 441.06 g/mol, XLogP of 5.37, 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-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 16613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).