benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate

C19H19FN2O4 — CID 20724744

IUPACbenzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate
SMILESO=C(Cc1ccc(F)cc1)N1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19FN2O4/c20-16-8-6-14(7-9-16)10-18(24)21-11-17(23)12-22(21)19(25)26-13-15-4-2-1-3-5-15/h1-9,17,23H,10-13H2
InChIKeyZUTIOUJGTRXZOF-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.13
Rot. Bonds4

About benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate

benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate (PubChem CID 20724744) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate
PubChem CID20724744
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namebenzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate
SMILESO=C(Cc1ccc(F)cc1)N1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19FN2O4/c20-16-8-6-14(7-9-16)10-18(24)21-11-17(23)12-22(21)19(25)26-13-15-4-2-1-3-5-15/h1-9,17,23H,10-13H2
InChIKeyZUTIOUJGTRXZOF-UHFFFAOYSA-N
XLogP2.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11077869
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
CID 134945067
(4S,5R)-3-[(2S)-2-fluoro-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135056188
(4S,5R)-3-(2-Phenyl)acetyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11066354
(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11077752
(4R,5S)-4-methyl-5-phenyl-3-phenylacetyl-oxazolidin-2-one
CID 11748453
(4R,5S)-4-methyl-5-phenyl-3-(3-phenyl-propionyl)oxazolidine-2-one
CID 13461718
2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
CID 164642263
[3-[4-[Ethyl-[2-(4-fluorophenyl)acetyl]amino]piperidin-1-yl]-1-(4-fluorophenyl)propyl] pyrrolidine-1-carboxylate
CID 9871095
2-[2-(4-Fluorophenyl)acetyl]4-methylene-pyrazolidine-1-carboxylic acid benzyl ester
CID 12970154
2-[2-(4-Fluorophenyl)acetyl]-4-oxo-pyrazolidine-1-carboxylic acid benzyl ester
CID 12970155

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate (CID 20724744) is benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate is O=C(Cc1ccc(F)cc1)N1CC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate?
The InChIKey is ZUTIOUJGTRXZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-16-8-6-14(7-9-16)10-18(24)21-11-17(23)12-22(21)19(25)26-13-15-4-2-1-3-5-15/h1-9,17,23H,10-13H2.
What are the key properties of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate?
benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate has a molecular weight of 358.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-hydroxypyrazolidine-1-carboxylate is sourced from PubChem (CID 20724744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).