1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide

C26H25FN2O2 — CID 154688149

IUPAC1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2F)c1
InChIInChI=1S/C26H25FN2O2/c1-17-18(2)29(16-21-8-4-5-10-24(21)27)25-12-11-20(14-23(17)25)26(30)28-15-19-7-6-9-22(13-19)31-3/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyDGSIQPDHFWGAIT-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.38
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide (PubChem CID 154688149) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
PubChem CID154688149
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2F)c1
InChIInChI=1S/C26H25FN2O2/c1-17-18(2)29(16-21-8-4-5-10-24(21)27)25-12-11-20(14-23(17)25)26(30)28-15-19-7-6-9-22(13-19)31-3/h4-14H,15-16H2,1-3H3,(H,28,30)
InChIKeyDGSIQPDHFWGAIT-UHFFFAOYSA-N
XLogP5.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
2-[4-[[2,3-dimethyl-5-[(3-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-phenylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(3-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158881479
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
2-[4-[[2,3-dimethyl-5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 71074745
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
2,3-dimethyl-1-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 144948622
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
2-[3-[[5-[(4-tert-butylphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]propanoic acid
CID 144948569

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide (CID 154688149) is 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide?
The InChIKey is DGSIQPDHFWGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-17-18(2)29(16-21-8-4-5-10-24(21)27)25-12-11-20(14-23(17)25)26(30)28-15-19-7-6-9-22(13-19)31-3/h4-14H,15-16H2,1-3H3,(H,28,30).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 154688149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).