ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate

C22H23ClN2O3 — CID 166333900

IUPACethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1cc2c(C)cc(Cl)cc2[nH]1)c1cccc(C)c1C
InChIInChI=1S/C22H23ClN2O3/c1-5-28-22(27)20(16-8-6-7-12(2)14(16)4)25-21(26)19-11-17-13(3)9-15(23)10-18(17)24-19/h6-11,20,24H,5H2,1-4H3,(H,25,26)
InChIKeyFFGGIJGWJFYZAN-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.78
Rot. Bonds5

About ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate

ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate (PubChem CID 166333900) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate
PubChem CID166333900
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Nameethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)c1cc2c(C)cc(Cl)cc2[nH]1)c1cccc(C)c1C
InChIInChI=1S/C22H23ClN2O3/c1-5-28-22(27)20(16-8-6-7-12(2)14(16)4)25-21(26)19-11-17-13(3)9-15(23)10-18(17)24-19/h6-11,20,24H,5H2,1-4H3,(H,25,26)
InChIKeyFFGGIJGWJFYZAN-UHFFFAOYSA-N
XLogP4.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate?
The IUPAC name of ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate (CID 166333900) is ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate?
The canonical SMILES for ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate is CCOC(=O)C(NC(=O)c1cc2c(C)cc(Cl)cc2[nH]1)c1cccc(C)c1C.
What is the InChIKey of ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate?
The InChIKey is FFGGIJGWJFYZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-5-28-22(27)20(16-8-6-7-12(2)14(16)4)25-21(26)19-11-17-13(3)9-15(23)10-18(17)24-19/h6-11,20,24H,5H2,1-4H3,(H,25,26).
What are the key properties of ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate?
ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate has a molecular weight of 398.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-4-methyl-1H-indole-2-carbonyl)amino]-2-(2,3-dimethylphenyl)acetate is sourced from PubChem (CID 166333900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).