[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C18H12FNO5 — CID 2355174

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1F
InChIInChI=1S/C18H12FNO5/c19-12-6-2-3-7-13(12)20-17(22)10-24-18(23)16-9-14(21)11-5-1-4-8-15(11)25-16/h1-9H,10H2,(H,20,22)
InChIKeyRICWANXDDXLIGP-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.73
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2355174) has the molecular formula C18H12FNO5 and a molecular weight of 341.29 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2355174
Molecular FormulaC18H12FNO5
Molecular Weight341.29 g/mol
Exact Mass341.07
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1F
InChIInChI=1S/C18H12FNO5/c19-12-6-2-3-7-13(12)20-17(22)10-24-18(23)16-9-14(21)11-5-1-4-8-15(11)25-16/h1-9H,10H2,(H,20,22)
InChIKeyRICWANXDDXLIGP-UHFFFAOYSA-N
XLogP2.73
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2355174) is [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is RICWANXDDXLIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO5/c19-12-6-2-3-7-13(12)20-17(22)10-24-18(23)16-9-14(21)11-5-1-4-8-15(11)25-16/h1-9H,10H2,(H,20,22).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2355174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).