tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate

C23H25Cl2N3O4 — CID 19076561

IUPACtert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate
SMILESCN(CC(=O)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)CC(=O)OC(C)(C)C
InChIInChI=1S/C23H25Cl2N3O4/c1-22(2,3)32-20(30)13-28(4)12-19(29)27-23(15-7-5-6-8-17(15)25)16-11-14(24)9-10-18(16)26-21(23)31/h5-11H,12-13H2,1-4H3,(H,26,31)(H,27,29)
InChIKeyWDNABEFYKXAENZ-UHFFFAOYSA-N
MW478.38 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate

tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate (PubChem CID 19076561) has the molecular formula C23H25Cl2N3O4 and a molecular weight of 478.38 g/mol. Its IUPAC name is tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate
PubChem CID19076561
Molecular FormulaC23H25Cl2N3O4
Molecular Weight478.38 g/mol
Exact Mass477.12
IUPAC Nametert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate
SMILESCN(CC(=O)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)CC(=O)OC(C)(C)C
InChIInChI=1S/C23H25Cl2N3O4/c1-22(2,3)32-20(30)13-28(4)12-19(29)27-23(15-7-5-6-8-17(15)25)16-11-14(24)9-10-18(16)26-21(23)31/h5-11H,12-13H2,1-4H3,(H,26,31)(H,27,29)
InChIKeyWDNABEFYKXAENZ-UHFFFAOYSA-N
XLogP3.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate (CID 19076561) is tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate is CN(CC(=O)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is WDNABEFYKXAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O4/c1-22(2,3)32-20(30)13-28(4)12-19(29)27-23(15-7-5-6-8-17(15)25)16-11-14(24)9-10-18(16)26-21(23)31/h5-11H,12-13H2,1-4H3,(H,26,31)(H,27,29).
What are the key properties of tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate?
tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 478.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 19076561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).