[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

C19H16FNO4 — CID 8742418

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c20-16-7-5-13(6-8-16)10-21-18(22)12-25-19(23)15-9-14-3-1-2-4-17(14)24-11-15/h1-9H,10-12H2,(H,21,22)
InChIKeyXYGMFRCABQJRRM-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.46
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8742418) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8742418
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c20-16-7-5-13(6-8-16)10-21-18(22)12-25-19(23)15-9-14-3-1-2-4-17(14)24-11-15/h1-9H,10-12H2,(H,21,22)
InChIKeyXYGMFRCABQJRRM-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8742418) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is XYGMFRCABQJRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-16-7-5-13(6-8-16)10-21-18(22)12-25-19(23)15-9-14-3-1-2-4-17(14)24-11-15/h1-9H,10-12H2,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8742418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).