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

C18H15F3N2O — CID 2129206

IUPAC3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)13-4-3-5-14(10-13)23-17(24)9-8-12-11-22-16-7-2-1-6-15(12)16/h1-7,10-11,22H,8-9H2,(H,23,24)
InChIKeyARBYRLOTPFXZPZ-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.76
Rot. Bonds4

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

3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 2129206) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID2129206
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)13-4-3-5-14(10-13)23-17(24)9-8-12-11-22-16-7-2-1-6-15(12)16/h1-7,10-11,22H,8-9H2,(H,23,24)
InChIKeyARBYRLOTPFXZPZ-UHFFFAOYSA-N
XLogP4.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(1H-indol-3-yl)-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

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
1-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42695868
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 27842678
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 2129206) is 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ARBYRLOTPFXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)13-4-3-5-14(10-13)23-17(24)9-8-12-11-22-16-7-2-1-6-15(12)16/h1-7,10-11,22H,8-9H2,(H,23,24).
What are the key properties of 3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 332.33 g/mol, XLogP of 4.76, 4 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-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 2129206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).