2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C19H20FNO4 — CID 4575047

IUPAC2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H20FNO4/c1-11-17-15(21-18(11)19(23)25-8-7-24-2)9-13(10-16(17)22)12-3-5-14(20)6-4-12/h3-6,13,21H,7-10H2,1-2H3
InChIKeySXIFJYDKQDRSIW-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.18
Rot. Bonds5

About 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 4575047) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID4575047
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H20FNO4/c1-11-17-15(21-18(11)19(23)25-8-7-24-2)9-13(10-16(17)22)12-3-5-14(20)6-4-12/h3-6,13,21H,7-10H2,1-2H3
InChIKeySXIFJYDKQDRSIW-UHFFFAOYSA-N
XLogP3.18
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 4575047) is 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2.
What is the InChIKey of 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is SXIFJYDKQDRSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-11-17-15(21-18(11)19(23)25-8-7-24-2)9-13(10-16(17)22)12-3-5-14(20)6-4-12/h3-6,13,21H,7-10H2,1-2H3.
What are the key properties of 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 4575047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).