2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide

C20H13BrF3NO2 — CID 55886066

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C20H13BrF3NO2/c21-13-6-7-18(16(23)8-13)27-11-19(26)25-20-15(9-14(22)10-17(20)24)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,26)
InChIKeyMSYDCZIZQRJGOY-UHFFFAOYSA-N
MW436.23 g/mol
LogP5.55
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide (PubChem CID 55886066) has the molecular formula C20H13BrF3NO2 and a molecular weight of 436.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide
PubChem CID55886066
Molecular FormulaC20H13BrF3NO2
Molecular Weight436.23 g/mol
Exact Mass435.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C20H13BrF3NO2/c21-13-6-7-18(16(23)8-13)27-11-19(26)25-20-15(9-14(22)10-17(20)24)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,26)
InChIKeyMSYDCZIZQRJGOY-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.23
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904
N-(2-bromo-4,6-difluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2471730
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-phenylphenyl)acetamide
CID 7701761
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide (CID 55886066) is 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1c(F)cc(F)cc1-c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide?
The InChIKey is MSYDCZIZQRJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3NO2/c21-13-6-7-18(16(23)8-13)27-11-19(26)25-20-15(9-14(22)10-17(20)24)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,26).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide has a molecular weight of 436.23 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluoro-6-phenylphenyl)acetamide is sourced from PubChem (CID 55886066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).