2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C16H14BrClFNO3 — CID 40604024

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C16H14BrClFNO3/c1-9-5-13(15(22-2)7-12(9)18)20-16(21)8-23-14-4-3-10(19)6-11(14)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyADWVDGXZVBLLEK-UHFFFAOYSA-N
MW402.65 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 40604024) has the molecular formula C16H14BrClFNO3 and a molecular weight of 402.65 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID40604024
Molecular FormulaC16H14BrClFNO3
Molecular Weight402.65 g/mol
Exact Mass400.98
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C16H14BrClFNO3/c1-9-5-13(15(22-2)7-12(9)18)20-16(21)8-23-14-4-3-10(19)6-11(14)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyADWVDGXZVBLLEK-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 40604024) is 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ADWVDGXZVBLLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO3/c1-9-5-13(15(22-2)7-12(9)18)20-16(21)8-23-14-4-3-10(19)6-11(14)17/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 402.65 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 40604024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).