(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C23H24F3N3O4 — CID 69105176

IUPAC(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(N2CCC[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O4/c1-28(2)20(30)18-8-6-12-29(18)22(15-7-4-5-9-19(15)32-3)16-13-14(33-23(24,25)26)10-11-17(16)27-21(22)31/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,27,31)/t18-,22?/m0/s1
InChIKeyICRNVZOEJWTUHM-HXBUSHRASA-N
MW463.46 g/mol
LogP3.34
Rot. Bonds5

About (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 69105176) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID69105176
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1C1(N2CCC[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C23H24F3N3O4/c1-28(2)20(30)18-8-6-12-29(18)22(15-7-4-5-9-19(15)32-3)16-13-14(33-23(24,25)26)10-11-17(16)27-21(22)31/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,27,31)/t18-,22?/m0/s1
InChIKeyICRNVZOEJWTUHM-HXBUSHRASA-N
XLogP3.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 69105176) is (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccccc1C1(N2CCC[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ICRNVZOEJWTUHM-HXBUSHRASA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-28(2)20(30)18-8-6-12-29(18)22(15-7-4-5-9-19(15)32-3)16-13-14(33-23(24,25)26)10-11-17(16)27-21(22)31/h4-5,7,9-11,13,18H,6,8,12H2,1-3H3,(H,27,31)/t18-,22?/m0/s1.
What are the key properties of (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-methoxyphenyl)-2-oxo-5-(trifluoromethoxy)-1H-indol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 69105176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).