ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

C20H22F2N2O5 — CID 46626146

IUPACethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C20H22F2N2O5/c1-5-28-20(27)15-8-11(2)24(12(15)3)10-18(25)29-13(4)19(26)23-17-7-6-14(21)9-16(17)22/h6-9,13H,5,10H2,1-4H3,(H,23,26)
InChIKeyWIUPYWOPGZRHNS-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.13
Rot. Bonds7

About ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 46626146) has the molecular formula C20H22F2N2O5 and a molecular weight of 408.40 g/mol. Its IUPAC name is ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID46626146
Molecular FormulaC20H22F2N2O5
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Nameethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C20H22F2N2O5/c1-5-28-20(27)15-8-11(2)24(12(15)3)10-18(25)29-13(4)19(26)23-17-7-6-14(21)9-16(17)22/h6-9,13H,5,10H2,1-4H3,(H,23,26)
InChIKeyWIUPYWOPGZRHNS-UHFFFAOYSA-N
XLogP3.13
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 46626165
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305861
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993767
ethyl 1-[2-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 8979192
ethyl 1-[2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 8979092
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890200
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8571771
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 43048492
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993807
ethyl 1-[2-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 8979241
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094481

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (CID 46626146) is ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC(=O)OC(C)C(=O)Nc2ccc(F)cc2F)c1C.
What is the InChIKey of ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is WIUPYWOPGZRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5/c1-5-28-20(27)15-8-11(2)24(12(15)3)10-18(25)29-13(4)19(26)23-17-7-6-14(21)9-16(17)22/h6-9,13H,5,10H2,1-4H3,(H,23,26).
What are the key properties of ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 408.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 46626146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).