2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide

C20H15F3N2O2 — CID 68825664

IUPAC2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCC#Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-4-14(5-8-17)2-1-10-25-19(26)13-15-3-6-16-9-11-24-18(16)12-15/h3-9,11-12,24H,10,13H2,(H,25,26)
InChIKeyIWTAYLIBGJNWFG-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.78
Rot. Bonds4

About 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide

2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide (PubChem CID 68825664) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
PubChem CID68825664
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCC#Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-4-14(5-8-17)2-1-10-25-19(26)13-15-3-6-16-9-11-24-18(16)12-15/h3-9,11-12,24H,10,13H2,(H,25,26)
InChIKeyIWTAYLIBGJNWFG-UHFFFAOYSA-N
XLogP3.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide 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-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-(4-ethylphenyl)-2-(1H-indol-6-yl)acetamide
CID 110476500
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90549925
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
1-methoxy-4-[5-[4-(trifluoromethoxy)phenyl]penta-1,4-diynyl]benzene
CID 144581648
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide?
The IUPAC name of 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide (CID 68825664) is 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide is O=C(Cc1ccc2cc[nH]c2c1)NCC#Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide?
The InChIKey is IWTAYLIBGJNWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)27-17-7-4-14(5-8-17)2-1-10-25-19(26)13-15-3-6-16-9-11-24-18(16)12-15/h3-9,11-12,24H,10,13H2,(H,25,26).
What are the key properties of 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide?
2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide has a molecular weight of 372.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide is sourced from PubChem (CID 68825664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).