[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

C19H18F2N2O6 — CID 7771051

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESCOc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O6/c1-27-15-9-5-3-7-13(15)23-16(24)11-28-17(25)10-22-18(26)12-6-2-4-8-14(12)29-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyFOWRFGIHZHJEEM-UHFFFAOYSA-N
MW408.36 g/mol
LogP2.21
Rot. Bonds9

About [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 7771051) has the molecular formula C19H18F2N2O6 and a molecular weight of 408.36 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID7771051
Molecular FormulaC19H18F2N2O6
Molecular Weight408.36 g/mol
Exact Mass408.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESCOc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O6/c1-27-15-9-5-3-7-13(15)23-16(24)11-28-17(25)10-22-18(26)12-6-2-4-8-14(12)29-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyFOWRFGIHZHJEEM-UHFFFAOYSA-N
XLogP2.21
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate with MolForge

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Related Compounds

2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8024516
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8842013
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 4044601

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (CID 7771051) is [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is FOWRFGIHZHJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O6/c1-27-15-9-5-3-7-13(15)23-16(24)11-28-17(25)10-22-18(26)12-6-2-4-8-14(12)29-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 408.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 7771051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).