ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate

C24H24F3NO3 — CID 68591001

IUPACethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C(F)(F)F)c2C=C(C)C)Cc2ccccc2C1
InChIInChI=1S/C24H24F3NO3/c1-4-31-22(30)23(13-16-8-5-6-9-17(16)14-23)28-21(29)18-10-7-11-20(24(25,26)27)19(18)12-15(2)3/h5-12H,4,13-14H2,1-3H3,(H,28,29)
InChIKeyUVUUIAVALDUTPU-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.96
Rot. Bonds5

About ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 68591001) has the molecular formula C24H24F3NO3 and a molecular weight of 431.45 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID68591001
Molecular FormulaC24H24F3NO3
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Nameethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C(F)(F)F)c2C=C(C)C)Cc2ccccc2C1
InChIInChI=1S/C24H24F3NO3/c1-4-31-22(30)23(13-16-8-5-6-9-17(16)14-23)28-21(29)18-10-7-11-20(24(25,26)27)19(18)12-15(2)3/h5-12H,4,13-14H2,1-3H3,(H,28,29)
InChIKeyUVUUIAVALDUTPU-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 68591001) is ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(C(F)(F)F)c2C=C(C)C)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is UVUUIAVALDUTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO3/c1-4-31-22(30)23(13-16-8-5-6-9-17(16)14-23)28-21(29)18-10-7-11-20(24(25,26)27)19(18)12-15(2)3/h5-12H,4,13-14H2,1-3H3,(H,28,29).
What are the key properties of ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68591001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).