[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C20H19FN2O5 — CID 24793395

IUPAC[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O5/c1-13(20(26)22-10-14-6-8-15(21)9-7-14)28-19(25)11-23-16-4-2-3-5-17(16)27-12-18(23)24/h2-9,13H,10-12H2,1H3,(H,22,26)
InChIKeyPUIBILMGASDSQX-UHFFFAOYSA-N
MW386.38 g/mol
LogP1.80
Rot. Bonds6

About [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 24793395) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID24793395
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O5/c1-13(20(26)22-10-14-6-8-15(21)9-7-14)28-19(25)11-23-16-4-2-3-5-17(16)27-12-18(23)24/h2-9,13H,10-12H2,1H3,(H,22,26)
InChIKeyPUIBILMGASDSQX-UHFFFAOYSA-N
XLogP1.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 24793395) is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is CC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is PUIBILMGASDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-13(20(26)22-10-14-6-8-15(21)9-7-14)28-19(25)11-23-16-4-2-3-5-17(16)27-12-18(23)24/h2-9,13H,10-12H2,1H3,(H,22,26).
What are the key properties of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 386.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 24793395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).