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

C19H17F3N2O — CID 113209036

IUPAC2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17F3N2O/c1-18(2,15-11-23-16-9-4-3-8-14(15)16)17(25)24-13-7-5-6-12(10-13)19(20,21)22/h3-11,23H,1-2H3,(H,24,25)
InChIKeyPHPKMBKZWQMVMC-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.10
Rot. Bonds3

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

2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113209036) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113209036
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17F3N2O/c1-18(2,15-11-23-16-9-4-3-8-14(15)16)17(25)24-13-7-5-6-12(10-13)19(20,21)22/h3-11,23H,1-2H3,(H,24,25)
InChIKeyPHPKMBKZWQMVMC-UHFFFAOYSA-N
XLogP5.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-3-carboxylate
CID 8606015
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209063

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113209036) is 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PHPKMBKZWQMVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-18(2,15-11-23-16-9-4-3-8-14(15)16)17(25)24-13-7-5-6-12(10-13)19(20,21)22/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 346.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113209036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).