6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide

C13H15F3N2O2 — CID 79374237

IUPAC6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
SMILESCOc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CC2
InChIInChI=1S/C13H15F3N2O2/c1-20-9-3-2-8-4-5-12(11(17)19,10(8)6-9)18-7-13(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H2,17,19)
InChIKeyQFGSTMVDXLHQSB-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.47
Rot. Bonds4

About 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide

6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide (PubChem CID 79374237) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
PubChem CID79374237
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
SMILESCOc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CC2
InChIInChI=1S/C13H15F3N2O2/c1-20-9-3-2-8-4-5-12(11(17)19,10(8)6-9)18-7-13(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H2,17,19)
InChIKeyQFGSTMVDXLHQSB-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 79230787
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 54893156
methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510736
ethyl 6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylate
CID 79374121
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide (CID 79374237) is 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide is COc1ccc2c(c1)C(NCC(F)(F)F)(C(N)=O)CC2.
What is the InChIKey of 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is QFGSTMVDXLHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-9-3-2-8-4-5-12(11(17)19,10(8)6-9)18-7-13(14,15)16/h2-3,6,18H,4-5,7H2,1H3,(H2,17,19).
What are the key properties of 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide?
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 79374237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).