3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide

C22H23F3N2O — CID 42803915

IUPAC3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23F3N2O/c1-14(2)12-27-21(28)11-17(15-7-3-5-9-19(15)22(23,24)25)18-13-26-20-10-6-4-8-16(18)20/h3-10,13-14,17,26H,11-12H2,1-2H3,(H,27,28)
InChIKeyFYBVBQSHDQCGCR-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.48
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide

3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42803915) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42803915
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23F3N2O/c1-14(2)12-27-21(28)11-17(15-7-3-5-9-19(15)22(23,24)25)18-13-26-20-10-6-4-8-16(18)20/h3-10,13-14,17,26H,11-12H2,1-2H3,(H,27,28)
InChIKeyFYBVBQSHDQCGCR-UHFFFAOYSA-N
XLogP5.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803917
3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803891
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3R)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93122656
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide (CID 42803915) is 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide is CC(C)CNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FYBVBQSHDQCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-14(2)12-27-21(28)11-17(15-7-3-5-9-19(15)22(23,24)25)18-13-26-20-10-6-4-8-16(18)20/h3-10,13-14,17,26H,11-12H2,1-2H3,(H,27,28).
What are the key properties of 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 388.43 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42803915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).