5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C24H27F3N4O2 — CID 44534066

IUPAC5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NCCN3CCCC3)cc1)CC2
InChIInChI=1S/C24H27F3N4O2/c1-16-14-18-8-12-31(21(18)15-20(16)24(25,26)27)23(33)29-19-6-4-17(5-7-19)22(32)28-9-13-30-10-2-3-11-30/h4-7,14-15H,2-3,8-13H2,1H3,(H,28,32)(H,29,33)
InChIKeyILYOGMDIUZRLHH-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.43
Rot. Bonds5

About 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 44534066) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID44534066
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NCCN3CCCC3)cc1)CC2
InChIInChI=1S/C24H27F3N4O2/c1-16-14-18-8-12-31(21(18)15-20(16)24(25,26)27)23(33)29-19-6-4-17(5-7-19)22(32)28-9-13-30-10-2-3-11-30/h4-7,14-15H,2-3,8-13H2,1H3,(H,28,32)(H,29,33)
InChIKeyILYOGMDIUZRLHH-UHFFFAOYSA-N
XLogP4.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 44534066) is 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NCCN3CCCC3)cc1)CC2.
What is the InChIKey of 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ILYOGMDIUZRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-16-14-18-8-12-31(21(18)15-20(16)24(25,26)27)23(33)29-19-6-4-17(5-7-19)22(32)28-9-13-30-10-2-3-11-30/h4-7,14-15H,2-3,8-13H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).