2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide

C25H28FN3O — CID 70105361

IUPAC2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NC1CC3CCC(C1)N3C)c(-c1ccc(F)cc1)n2C
InChIInChI=1S/C25H28FN3O/c1-15-4-11-22-21(12-15)23(24(29(22)3)16-5-7-17(26)8-6-16)25(30)27-18-13-19-9-10-20(14-18)28(19)2/h4-8,11-12,18-20H,9-10,13-14H2,1-3H3,(H,27,30)
InChIKeyHLZLWNXTTIEPHC-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide

2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide (PubChem CID 70105361) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide
PubChem CID70105361
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NC1CC3CCC(C1)N3C)c(-c1ccc(F)cc1)n2C
InChIInChI=1S/C25H28FN3O/c1-15-4-11-22-21(12-15)23(24(29(22)3)16-5-7-17(26)8-6-16)25(30)27-18-13-19-9-10-20(14-18)28(19)2/h4-8,11-12,18-20H,9-10,13-14H2,1-3H3,(H,27,30)
InChIKeyHLZLWNXTTIEPHC-UHFFFAOYSA-N
XLogP4.65
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide (CID 70105361) is 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide is Cc1ccc2c(c1)c(C(=O)NC1CC3CCC(C1)N3C)c(-c1ccc(F)cc1)n2C.
What is the InChIKey of 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide?
The InChIKey is HLZLWNXTTIEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-15-4-11-22-21(12-15)23(24(29(22)3)16-5-7-17(26)8-6-16)25(30)27-18-13-19-9-10-20(14-18)28(19)2/h4-8,11-12,18-20H,9-10,13-14H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide?
2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 70105361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).