[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate

C21H19F2N3O4 — CID 40667880

IUPAC[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(COC(=O)CCn1ccc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O4/c22-16-6-5-15(11-17(16)23)25-19(27)12-24-20(28)13-30-21(29)8-10-26-9-7-14-3-1-2-4-18(14)26/h1-7,9,11H,8,10,12-13H2,(H,24,28)(H,25,27)
InChIKeyKQXCJJWCQJNRKZ-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.61
Rot. Bonds8

About [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate (PubChem CID 40667880) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
PubChem CID40667880
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(COC(=O)CCn1ccc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O4/c22-16-6-5-15(11-17(16)23)25-19(27)12-24-20(28)13-30-21(29)8-10-26-9-7-14-3-1-2-4-18(14)26/h1-7,9,11H,8,10,12-13H2,(H,24,28)(H,25,27)
InChIKeyKQXCJJWCQJNRKZ-UHFFFAOYSA-N
XLogP2.61
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289649
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007632
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229414
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574084
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40680707
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
CID 55950802
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427804
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3915292

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate (CID 40667880) is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate.
What is the SMILES notation for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The canonical SMILES for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate is O=C(COC(=O)CCn1ccc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
The InChIKey is KQXCJJWCQJNRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c22-16-6-5-15(11-17(16)23)25-19(27)12-24-20(28)13-30-21(29)8-10-26-9-7-14-3-1-2-4-18(14)26/h1-7,9,11H,8,10,12-13H2,(H,24,28)(H,25,27).
What are the key properties of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate?
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate has a molecular weight of 415.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate is sourced from PubChem (CID 40667880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).