[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate

C16H11BrClF2NO4 — CID 2400404

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H11BrClF2NO4/c17-9-5-6-11(18)10(7-9)15(23)24-8-14(22)21-12-3-1-2-4-13(12)25-16(19)20/h1-7,16H,8H2,(H,21,22)
InChIKeyHUFCHSHTWKHLSF-UHFFFAOYSA-N
MW434.62 g/mol
LogP4.50
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate (PubChem CID 2400404) has the molecular formula C16H11BrClF2NO4 and a molecular weight of 434.62 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
PubChem CID2400404
Molecular FormulaC16H11BrClF2NO4
Molecular Weight434.62 g/mol
Exact Mass432.95
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H11BrClF2NO4/c17-9-5-6-11(18)10(7-9)15(23)24-8-14(22)21-12-3-1-2-4-13(12)25-16(19)20/h1-7,16H,8H2,(H,21,22)
InChIKeyHUFCHSHTWKHLSF-UHFFFAOYSA-N
XLogP4.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-iodobenzoate
CID 2397956
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228474
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990092
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2399403
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2373487
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 29463714

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate (CID 2400404) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate is O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The InChIKey is HUFCHSHTWKHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF2NO4/c17-9-5-6-11(18)10(7-9)15(23)24-8-14(22)21-12-3-1-2-4-13(12)25-16(19)20/h1-7,16H,8H2,(H,21,22).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate has a molecular weight of 434.62 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 2400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).