[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C17H13Cl2F2NO4 — CID 7724605

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13Cl2F2NO4/c18-11-6-5-10(7-12(11)19)8-16(24)25-9-15(23)22-13-3-1-2-4-14(13)26-17(20)21/h1-7,17H,8-9H2,(H,22,23)
InChIKeyFLKHDPKHAKBWPB-UHFFFAOYSA-N
MW404.20 g/mol
LogP4.32
Rot. Bonds7

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 7724605) has the molecular formula C17H13Cl2F2NO4 and a molecular weight of 404.20 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID7724605
Molecular FormulaC17H13Cl2F2NO4
Molecular Weight404.20 g/mol
Exact Mass403.02
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H13Cl2F2NO4/c18-11-6-5-10(7-12(11)19)8-16(24)25-9-15(23)22-13-3-1-2-4-14(13)26-17(20)21/h1-7,17H,8-9H2,(H,22,23)
InChIKeyFLKHDPKHAKBWPB-UHFFFAOYSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 40669347
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2400404
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724935
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2399403
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 7724605) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is FLKHDPKHAKBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2NO4/c18-11-6-5-10(7-12(11)19)8-16(24)25-9-15(23)22-13-3-1-2-4-14(13)26-17(20)21/h1-7,17H,8-9H2,(H,22,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 404.20 g/mol, XLogP of 4.32, 7 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] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).