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

C19H17ClN2O4 — CID 2418014

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1Cl)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H17ClN2O4/c20-15-7-3-2-6-14(15)19(25)21-11-18(24)26-12-17(23)22-10-9-13-5-1-4-8-16(13)22/h1-8H,9-12H2,(H,21,25)
InChIKeyWLDREVSSEKZTDT-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.20
Rot. Bonds5

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 2418014) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID2418014
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1Cl)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H17ClN2O4/c20-15-7-3-2-6-14(15)19(25)21-11-18(24)26-12-17(23)22-10-9-13-5-1-4-8-16(13)22/h1-8H,9-12H2,(H,21,25)
InChIKeyWLDREVSSEKZTDT-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}benzamide
CID 9932394
3-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11517577
2-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)benzamide
CID 11546456
[2-Oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16280777
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2380399
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 2416741
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2417581
[2-(N-methylanilino)-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 2450904
[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-[(2,4-dichlorobenzoyl)amino]acetate
CID 24983230
[(Cyanomethyl)(phenyl)carbamoyl]methyl 4-[(4-chlorophenyl)formamido]butanoate
CID 25163433
(2S)-2-[(2-chlorobenzoyl)amino]propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester
CID 25163553

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (CID 2418014) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1Cl)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is WLDREVSSEKZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-15-7-3-2-6-14(15)19(25)21-11-18(24)26-12-17(23)22-10-9-13-5-1-4-8-16(13)22/h1-8H,9-12H2,(H,21,25).
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 372.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 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] 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2418014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).