ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

C23H22Cl2FNO4 — CID 59314158

IUPACethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(Cl)cc(Cl)c2OC2CCC2)Cc2ccc(F)cc2C1
InChIInChI=1S/C23H22Cl2FNO4/c1-2-30-22(29)23(11-13-6-7-16(26)8-14(13)12-23)27-21(28)18-9-15(24)10-19(25)20(18)31-17-4-3-5-17/h6-10,17H,2-5,11-12H2,1H3,(H,27,28)
InChIKeyXBNYAPZYKPRHOU-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.89
Rot. Bonds6

About ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate (PubChem CID 59314158) has the molecular formula C23H22Cl2FNO4 and a molecular weight of 466.34 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
PubChem CID59314158
Molecular FormulaC23H22Cl2FNO4
Molecular Weight466.34 g/mol
Exact Mass465.09
IUPAC Nameethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(Cl)cc(Cl)c2OC2CCC2)Cc2ccc(F)cc2C1
InChIInChI=1S/C23H22Cl2FNO4/c1-2-30-22(29)23(11-13-6-7-16(26)8-14(13)12-23)27-21(28)18-9-15(24)10-19(25)20(18)31-17-4-3-5-17/h6-10,17H,2-5,11-12H2,1H3,(H,27,28)
InChIKeyXBNYAPZYKPRHOU-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate (CID 59314158) is ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cc(Cl)cc(Cl)c2OC2CCC2)Cc2ccc(F)cc2C1.
What is the InChIKey of ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
The InChIKey is XBNYAPZYKPRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FNO4/c1-2-30-22(29)23(11-13-6-7-16(26)8-14(13)12-23)27-21(28)18-9-15(24)10-19(25)20(18)31-17-4-3-5-17/h6-10,17H,2-5,11-12H2,1H3,(H,27,28).
What are the key properties of ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate?
ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate has a molecular weight of 466.34 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).