[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

C19H14FNO5 — CID 46788308

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESCC(OC(=O)c1cc(=O)c2ccccc2o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H14FNO5/c1-11(18(23)21-14-8-4-3-7-13(14)20)25-19(24)17-10-15(22)12-6-2-5-9-16(12)26-17/h2-11H,1H3,(H,21,23)
InChIKeyKBXCAXLIAAKOKO-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.12
Rot. Bonds4

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (PubChem CID 46788308) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
PubChem CID46788308
Molecular FormulaC19H14FNO5
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESCC(OC(=O)c1cc(=O)c2ccccc2o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H14FNO5/c1-11(18(23)21-14-8-4-3-7-13(14)20)25-19(24)17-10-15(22)12-6-2-5-9-16(12)26-17/h2-11H,1H3,(H,21,23)
InChIKeyKBXCAXLIAAKOKO-UHFFFAOYSA-N
XLogP3.12
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7765345
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292203
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-oxochromene-2-carboxylate
CID 7968490
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-oxochromene-2-carboxylate
CID 2102651
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 42972427
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968524
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 16503015
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877254
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384405
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2445849
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730127

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (CID 46788308) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is CC(OC(=O)c1cc(=O)c2ccccc2o1)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The InChIKey is KBXCAXLIAAKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-11(18(23)21-14-8-4-3-7-13(14)20)25-19(24)17-10-15(22)12-6-2-5-9-16(12)26-17/h2-11H,1H3,(H,21,23).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate has a molecular weight of 355.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 46788308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).