2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide

C16H14BrClF2N2O2 — CID 24615139

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14BrClF2N2O2/c1-2-24-16-10(17)6-9(18)7-13(16)21-8-14(23)22-15-11(19)4-3-5-12(15)20/h3-7,21H,2,8H2,1H3,(H,22,23)
InChIKeyKURYGLGIFPZJFR-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.83
Rot. Bonds6

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 24615139) has the molecular formula C16H14BrClF2N2O2 and a molecular weight of 419.65 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
PubChem CID24615139
Molecular FormulaC16H14BrClF2N2O2
Molecular Weight419.65 g/mol
Exact Mass417.99
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14BrClF2N2O2/c1-2-24-16-10(17)6-9(18)7-13(16)21-8-14(23)22-15-11(19)4-3-5-12(15)20/h3-7,21H,2,8H2,1H3,(H,22,23)
InChIKeyKURYGLGIFPZJFR-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24615172
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
CID 24615148
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 134042832
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3,5-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 109011204
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
2-(5-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408884
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide (CID 24615139) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is KURYGLGIFPZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClF2N2O2/c1-2-24-16-10(17)6-9(18)7-13(16)21-8-14(23)22-15-11(19)4-3-5-12(15)20/h3-7,21H,2,8H2,1H3,(H,22,23).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 419.65 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 24615139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).