[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C21H22ClFN2O4 — CID 7718388

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H22ClFN2O4/c1-3-14-7-4-5-10-18(14)24-19(26)12-25(2)20(27)13-29-21(28)11-15-16(22)8-6-9-17(15)23/h4-10H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyXCVZUJGCEICICO-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.22
Rot. Bonds8

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718388) has the molecular formula C21H22ClFN2O4 and a molecular weight of 420.87 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718388
Molecular FormulaC21H22ClFN2O4
Molecular Weight420.87 g/mol
Exact Mass420.13
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C21H22ClFN2O4/c1-3-14-7-4-5-10-18(14)24-19(26)12-25(2)20(27)13-29-21(28)11-15-16(22)8-6-9-17(15)23/h4-10H,3,11-13H2,1-2H3,(H,24,26)
InChIKeyXCVZUJGCEICICO-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521220
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791734
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200643
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718377
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527229
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718388) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is XCVZUJGCEICICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O4/c1-3-14-7-4-5-10-18(14)24-19(26)12-25(2)20(27)13-29-21(28)11-15-16(22)8-6-9-17(15)23/h4-10H,3,11-13H2,1-2H3,(H,24,26).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 420.87 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).