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

C18H12FNO5 — CID 2432321

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(F)cc1
InChIInChI=1S/C18H12FNO5/c19-11-5-7-12(8-6-11)20-17(22)10-24-18(23)16-9-14(21)13-3-1-2-4-15(13)25-16/h1-9H,10H2,(H,20,22)
InChIKeySSTXVDDMLQPBRO-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.73
Rot. Bonds4

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

[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2432321) has the molecular formula C18H12FNO5 and a molecular weight of 341.29 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2432321
Molecular FormulaC18H12FNO5
Molecular Weight341.29 g/mol
Exact Mass341.07
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(F)cc1
InChIInChI=1S/C18H12FNO5/c19-11-5-7-12(8-6-11)20-17(22)10-24-18(23)16-9-14(21)13-3-1-2-4-15(13)25-16/h1-9H,10H2,(H,20,22)
InChIKeySSTXVDDMLQPBRO-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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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7968387
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate
CID 2590919
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
CID 7968561
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194086
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2379895
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4839115

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2432321) is [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is SSTXVDDMLQPBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO5/c19-11-5-7-12(8-6-11)20-17(22)10-24-18(23)16-9-14(21)13-3-1-2-4-15(13)25-16/h1-9H,10H2,(H,20,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(4-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-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2432321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).