N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide

C14H8BrCl2F2NO2 — CID 17068845

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H8BrCl2F2NO2/c15-8-4-7(18)5-10(19)14(8)20-12(21)6-22-11-3-1-2-9(16)13(11)17/h1-5H,6H2,(H,20,21)
InChIKeyTXCACNBWHYYEQH-UHFFFAOYSA-N
MW411.03 g/mol
LogP5.05
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide

N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide (PubChem CID 17068845) has the molecular formula C14H8BrCl2F2NO2 and a molecular weight of 411.03 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide
PubChem CID17068845
Molecular FormulaC14H8BrCl2F2NO2
Molecular Weight411.03 g/mol
Exact Mass408.91
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H8BrCl2F2NO2/c15-8-4-7(18)5-10(19)14(8)20-12(21)6-22-11-3-1-2-9(16)13(11)17/h1-5H,6H2,(H,20,21)
InChIKeyTXCACNBWHYYEQH-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.03
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2471730
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
2-(2,3-dichlorophenoxy)-N-(4-methyl-2-pyridinyl)acetamide
CID 17250266
[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 3-amino-6-chloropyridine-2-carboxylate
CID 71845694
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide (CID 17068845) is N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1Cl)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide?
The InChIKey is TXCACNBWHYYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F2NO2/c15-8-4-7(18)5-10(19)14(8)20-12(21)6-22-11-3-1-2-9(16)13(11)17/h1-5H,6H2,(H,20,21).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide has a molecular weight of 411.03 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(2,3-dichlorophenoxy)acetamide is sourced from PubChem (CID 17068845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).