(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

C19H18FNO3 — CID 2943317

IUPAC(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F
InChIInChI=1S/C19H18FNO3/c20-17-9-5-4-8-15(17)13-24-19(23)12-21-11-16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16H,10-13H2
InChIKeyJEDHRYKEQVUCHX-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.88
Rot. Bonds5

About (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (PubChem CID 2943317) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
PubChem CID2943317
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F
InChIInChI=1S/C19H18FNO3/c20-17-9-5-4-8-15(17)13-24-19(23)12-21-11-16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16H,10-13H2
InChIKeyJEDHRYKEQVUCHX-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
CID 44444637
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
CID 44444638
2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
CID 1262752
Benzyl 2-[(2,2-diphenylacetyl)amino]acetate
CID 1100660
(+)-Benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
Benzyl 3-benzyl-5-oxo-1,2,6,7,8,8a-hexahydroindolizine-3-carboxylate
CID 70692143
(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
(1S,2S)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)cyclohexanecarboxylate
CID 10246840
Benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
Benzyl 1-acetyl-2-(4-methylbenzyl)pyrrolidine-2-carboxylate
CID 46884615
Benzyl 1-acetyl-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylate
CID 46884617
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (CID 2943317) is (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is O=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The InChIKey is JEDHRYKEQVUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-17-9-5-4-8-15(17)13-24-19(23)12-21-11-16(10-18(21)22)14-6-2-1-3-7-14/h1-9,16H,10-13H2.
What are the key properties of (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
(2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate has a molecular weight of 327.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 2943317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).