3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide

C22H20N2O3 — CID 17443220

IUPAC3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H20N2O3/c1-14-20-18(8-5-9-19(20)25)24-21(14)22(26)23-15-10-12-17(13-11-15)27-16-6-3-2-4-7-16/h2-4,6-7,10-13,24H,5,8-9H2,1H3,(H,23,26)
InChIKeyZINSFMAUQOGARO-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.89
Rot. Bonds4

About 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 17443220) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID17443220
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H20N2O3/c1-14-20-18(8-5-9-19(20)25)24-21(14)22(26)23-15-10-12-17(13-11-15)27-16-6-3-2-4-7-16/h2-4,6-7,10-13,24H,5,8-9H2,1H3,(H,23,26)
InChIKeyZINSFMAUQOGARO-UHFFFAOYSA-N
XLogP4.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide (CID 17443220) is 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is ZINSFMAUQOGARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-20-18(8-5-9-19(20)25)24-21(14)22(26)23-15-10-12-17(13-11-15)27-16-6-3-2-4-7-16/h2-4,6-7,10-13,24H,5,8-9H2,1H3,(H,23,26).
What are the key properties of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 17443220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).