[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C19H17FN2O5 — CID 7488994

IUPAC[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O5/c1-2-21(14-9-7-13(20)8-10-14)17(23)12-26-18(24)11-22-15-5-3-4-6-16(15)27-19(22)25/h3-10H,2,11-12H2,1H3
InChIKeyRAAMTCRZEVBDFE-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.33
Rot. Bonds6

About [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 7488994) has the molecular formula C19H17FN2O5 and a molecular weight of 372.35 g/mol. Its IUPAC name is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID7488994
Molecular FormulaC19H17FN2O5
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O5/c1-2-21(14-9-7-13(20)8-10-14)17(23)12-26-18(24)11-22-15-5-3-4-6-16(15)27-19(22)25/h3-10H,2,11-12H2,1H3
InChIKeyRAAMTCRZEVBDFE-UHFFFAOYSA-N
XLogP2.33
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 7488994) is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is CCN(C(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is RAAMTCRZEVBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5/c1-2-21(14-9-7-13(20)8-10-14)17(23)12-26-18(24)11-22-15-5-3-4-6-16(15)27-19(22)25/h3-10H,2,11-12H2,1H3.
What are the key properties of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 372.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 7488994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).