4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one

C17H14FNO3 — CID 57185925

IUPAC4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one
SMILESO=C(CNC1C(=O)COc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)14(20)9-19-17-13-3-1-2-4-16(13)22-10-15(17)21/h1-8,17,19H,9-10H2
InChIKeyRWDLEEBRWLWAGV-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.30
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one

4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one (PubChem CID 57185925) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one
PubChem CID57185925
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one
SMILESO=C(CNC1C(=O)COc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)14(20)9-19-17-13-3-1-2-4-16(13)22-10-15(17)21/h1-8,17,19H,9-10H2
InChIKeyRWDLEEBRWLWAGV-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one?
The IUPAC name of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one (CID 57185925) is 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one is O=C(CNC1C(=O)COc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one?
The InChIKey is RWDLEEBRWLWAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-12-7-5-11(6-8-12)14(20)9-19-17-13-3-1-2-4-16(13)22-10-15(17)21/h1-8,17,19H,9-10H2.
What are the key properties of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one?
4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one has a molecular weight of 299.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-4H-chromen-3-one is sourced from PubChem (CID 57185925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).