2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide

C17H16BrClF2N2O3 — CID 30645678

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H16BrClF2N2O3/c1-2-25-16-11(18)7-10(19)8-13(16)22-9-15(24)23-12-5-3-4-6-14(12)26-17(20)21/h3-8,17,22H,2,9H2,1H3,(H,23,24)
InChIKeyPTDAZKGOZBUJBK-UHFFFAOYSA-N
MW449.68 g/mol
LogP5.15
Rot. Bonds8

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 30645678) has the molecular formula C17H16BrClF2N2O3 and a molecular weight of 449.68 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID30645678
Molecular FormulaC17H16BrClF2N2O3
Molecular Weight449.68 g/mol
Exact Mass448.00
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H16BrClF2N2O3/c1-2-25-16-11(18)7-10(19)8-13(16)22-9-15(24)23-12-5-3-4-6-14(12)26-17(20)21/h3-8,17,22H,2,9H2,1H3,(H,23,24)
InChIKeyPTDAZKGOZBUJBK-UHFFFAOYSA-N
XLogP5.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 30645678) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is PTDAZKGOZBUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClF2N2O3/c1-2-25-16-11(18)7-10(19)8-13(16)22-9-15(24)23-12-5-3-4-6-14(12)26-17(20)21/h3-8,17,22H,2,9H2,1H3,(H,23,24).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 449.68 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 30645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).