2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone

C15H13F3N2O — CID 118140980

IUPAC2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone
SMILESC#CCN(C)CC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H13F3N2O/c1-3-6-20(2)9-14(21)13-7-10-4-5-11(15(16,17)18)8-12(10)19-13/h1,4-5,7-8,19H,6,9H2,2H3
InChIKeyYAUUDLXDZYSBIG-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.93
Rot. Bonds4

About 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone

2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone (PubChem CID 118140980) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone
PubChem CID118140980
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone
SMILESC#CCN(C)CC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H13F3N2O/c1-3-6-20(2)9-14(21)13-7-10-4-5-11(15(16,17)18)8-12(10)19-13/h1,4-5,7-8,19H,6,9H2,2H3
InChIKeyYAUUDLXDZYSBIG-UHFFFAOYSA-N
XLogP2.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone?
The IUPAC name of 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone (CID 118140980) is 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone.
What is the SMILES notation for 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone?
The canonical SMILES for 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone is C#CCN(C)CC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone?
The InChIKey is YAUUDLXDZYSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-3-6-20(2)9-14(21)13-7-10-4-5-11(15(16,17)18)8-12(10)19-13/h1,4-5,7-8,19H,6,9H2,2H3.
What are the key properties of 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone?
2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone has a molecular weight of 294.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone is sourced from PubChem (CID 118140980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).