[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate

C20H20F2N2O3 — CID 97254167

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
SMILESCN(C)[C@H](C(=O)OCC(=O)N1CCc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C20H20F2N2O3/c1-23(2)19(18-14(21)7-5-8-15(18)22)20(26)27-12-17(25)24-11-10-13-6-3-4-9-16(13)24/h3-9,19H,10-12H2,1-2H3/t19-/m0/s1
InChIKeyMMYGUYUTTCRADP-IBGZPJMESA-N
MW374.39 g/mol
LogP2.70
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate (PubChem CID 97254167) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
PubChem CID97254167
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate
SMILESCN(C)[C@H](C(=O)OCC(=O)N1CCc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C20H20F2N2O3/c1-23(2)19(18-14(21)7-5-8-15(18)22)20(26)27-12-17(25)24-11-10-13-6-3-4-9-16(13)24/h3-9,19H,10-12H2,1-2H3/t19-/m0/s1
InChIKeyMMYGUYUTTCRADP-IBGZPJMESA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 2378773
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 2448561
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 4022596
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489293
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 7892928

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate (CID 97254167) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate is CN(C)[C@H](C(=O)OCC(=O)N1CCc2ccccc21)c1c(F)cccc1F.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
The InChIKey is MMYGUYUTTCRADP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-23(2)19(18-14(21)7-5-8-15(18)22)20(26)27-12-17(25)24-11-10-13-6-3-4-9-16(13)24/h3-9,19H,10-12H2,1-2H3/t19-/m0/s1.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate has a molecular weight of 374.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)acetate is sourced from PubChem (CID 97254167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).