ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate

C24H26ClNO4 — CID 59314167

IUPACethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(Cl)cc(C)c2OC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C24H26ClNO4/c1-3-29-23(28)24(13-16-7-4-5-8-17(16)14-24)26-22(27)20-12-18(25)11-15(2)21(20)30-19-9-6-10-19/h4-5,7-8,11-12,19H,3,6,9-10,13-14H2,1-2H3,(H,26,27)
InChIKeyQNXCOYPXSWSWFC-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 59314167) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID59314167
Molecular FormulaC24H26ClNO4
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC Nameethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(Cl)cc(C)c2OC2CCC2)Cc2ccccc2C1
InChIInChI=1S/C24H26ClNO4/c1-3-29-23(28)24(13-16-7-4-5-8-17(16)14-24)26-22(27)20-12-18(25)11-15(2)21(20)30-19-9-6-10-19/h4-5,7-8,11-12,19H,3,6,9-10,13-14H2,1-2H3,(H,26,27)
InChIKeyQNXCOYPXSWSWFC-UHFFFAOYSA-N
XLogP4.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate (CID 59314167) is ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cc(Cl)cc(C)c2OC2CCC2)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is QNXCOYPXSWSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4/c1-3-29-23(28)24(13-16-7-4-5-8-17(16)14-24)26-22(27)20-12-18(25)11-15(2)21(20)30-19-9-6-10-19/h4-5,7-8,11-12,19H,3,6,9-10,13-14H2,1-2H3,(H,26,27).
What are the key properties of ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 427.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).