[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C20H18Cl2FN3O5 — CID 24983230

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O5/c1-26(10-17(27)25-14-5-3-13(23)4-6-14)18(28)11-31-19(29)9-24-20(30)15-7-2-12(21)8-16(15)22/h2-8H,9-11H2,1H3,(H,24,30)(H,25,27)
InChIKeyUPAFISPGRLJCES-UHFFFAOYSA-N
MW470.28 g/mol
LogP2.50
Rot. Bonds8

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 24983230) has the molecular formula C20H18Cl2FN3O5 and a molecular weight of 470.28 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID24983230
Molecular FormulaC20H18Cl2FN3O5
Molecular Weight470.28 g/mol
Exact Mass469.06
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O5/c1-26(10-17(27)25-14-5-3-13(23)4-6-14)18(28)11-31-19(29)9-24-20(30)15-7-2-12(21)8-16(15)22/h2-8H,9-11H2,1H3,(H,24,30)(H,25,27)
InChIKeyUPAFISPGRLJCES-UHFFFAOYSA-N
XLogP2.50
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
[2-Oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16280777
2,4-dichloro-N-{2-[(4-fluorophenyl)amino]-2-oxoethyl}benzamide
CID 771904
[2-(3,5-Dimethylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 2338785
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2380399
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2417581
N-(2-Chlorobenzoyl)glycine 2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl ester
CID 2418014
[2-(N-methylanilino)-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 2450904
[2-(3-Fluoroanilino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4260705
tert-butyl 2-[3-[(4-chlorobenzoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 14590298
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16348858
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24686110

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 24983230) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is UPAFISPGRLJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O5/c1-26(10-17(27)25-14-5-3-13(23)4-6-14)18(28)11-31-19(29)9-24-20(30)15-7-2-12(21)8-16(15)22/h2-8H,9-11H2,1H3,(H,24,30)(H,25,27).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 470.28 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 24983230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).