[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

C19H13F2NO5 — CID 8728811

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)OCC(=O)Nc3c(F)cccc3F)cc(=O)c2c1
InChIInChI=1S/C19H13F2NO5/c1-10-5-6-15-11(7-10)14(23)8-16(27-15)19(25)26-9-17(24)22-18-12(20)3-2-4-13(18)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyLHGNQLUJZMKXNE-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.18
Rot. Bonds4

About [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8728811) has the molecular formula C19H13F2NO5 and a molecular weight of 373.31 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8728811
Molecular FormulaC19H13F2NO5
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)OCC(=O)Nc3c(F)cccc3F)cc(=O)c2c1
InChIInChI=1S/C19H13F2NO5/c1-10-5-6-15-11(7-10)14(23)8-16(27-15)19(25)26-9-17(24)22-18-12(20)3-2-4-13(18)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyLHGNQLUJZMKXNE-UHFFFAOYSA-N
XLogP3.18
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728915
[2-(2-fluorophenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729035
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728814
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876580
[2-(4-cyanoanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728970
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2379895
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 9381012
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (CID 8728811) is [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is Cc1ccc2oc(C(=O)OCC(=O)Nc3c(F)cccc3F)cc(=O)c2c1.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is LHGNQLUJZMKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO5/c1-10-5-6-15-11(7-10)14(23)8-16(27-15)19(25)26-9-17(24)22-18-12(20)3-2-4-13(18)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 373.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8728811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).