[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate

C20H19ClN2O4 — CID 4076792

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)12-27-19(25)11-22-20(26)15-6-4-7-16(21)10-15/h2-8,10,13H,9,11-12H2,1H3,(H,22,26)
InChIKeyJUTXGENKYJPRSD-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.59
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate (PubChem CID 4076792) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate
PubChem CID4076792
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)12-27-19(25)11-22-20(26)15-6-4-7-16(21)10-15/h2-8,10,13H,9,11-12H2,1H3,(H,22,26)
InChIKeyJUTXGENKYJPRSD-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(3-chlorobenzoyl)amino]acetate
CID 3898552
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2417277
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251664
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953
N-benzyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzamide
CID 9253126
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23960161
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366038
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7874094

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate (CID 4076792) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate is CC1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate?
The InChIKey is JUTXGENKYJPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13-9-14-5-2-3-8-17(14)23(13)18(24)12-27-19(25)11-22-20(26)15-6-4-7-16(21)10-15/h2-8,10,13H,9,11-12H2,1H3,(H,22,26).
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate has a molecular weight of 386.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4076792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).