2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide

C16H14BrClF2N2O2 — CID 24615137

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14BrClF2N2O2/c1-2-24-16-11(17)5-9(18)6-14(16)21-8-15(23)22-13-4-3-10(19)7-12(13)20/h3-7,21H,2,8H2,1H3,(H,22,23)
InChIKeyJZRBIEBWQDQMGQ-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.83
Rot. Bonds6

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide (PubChem CID 24615137) 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-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide
PubChem CID24615137
Molecular FormulaC16H14BrClF2N2O2
Molecular Weight419.65 g/mol
Exact Mass417.99
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14BrClF2N2O2/c1-2-24-16-11(17)5-9(18)6-14(16)21-8-15(23)22-13-4-3-10(19)7-12(13)20/h3-7,21H,2,8H2,1H3,(H,22,23)
InChIKeyJZRBIEBWQDQMGQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide (CID 24615137) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is JZRBIEBWQDQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClF2N2O2/c1-2-24-16-11(17)5-9(18)6-14(16)21-8-15(23)22-13-4-3-10(19)7-12(13)20/h3-7,21H,2,8H2,1H3,(H,22,23).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-difluorophenyl)acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,4-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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 24615137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).