ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

C21H21F2NO4 — CID 59314384

IUPACethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccc(OC(F)F)cc2C)Cc2ccccc2C1
InChIInChI=1S/C21H21F2NO4/c1-3-27-19(26)21(11-14-6-4-5-7-15(14)12-21)24-18(25)17-9-8-16(10-13(17)2)28-20(22)23/h4-10,20H,3,11-12H2,1-2H3,(H,24,25)
InChIKeyYSEHLIWVZVHEJU-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.43
Rot. Bonds6

About ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 59314384) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID59314384
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC Nameethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccc(OC(F)F)cc2C)Cc2ccccc2C1
InChIInChI=1S/C21H21F2NO4/c1-3-27-19(26)21(11-14-6-4-5-7-15(14)12-21)24-18(25)17-9-8-16(10-13(17)2)28-20(22)23/h4-10,20H,3,11-12H2,1-2H3,(H,24,25)
InChIKeyYSEHLIWVZVHEJU-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 59314384) is ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2ccc(OC(F)F)cc2C)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is YSEHLIWVZVHEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO4/c1-3-27-19(26)21(11-14-6-4-5-7-15(14)12-21)24-18(25)17-9-8-16(10-13(17)2)28-20(22)23/h4-10,20H,3,11-12H2,1-2H3,(H,24,25).
What are the key properties of ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 389.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(difluoromethoxy)-2-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).