(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C18H16FNO3 — CID 19615469

IUPAC(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)12-23-18(22)14-10-17(21)20(11-14)16-4-2-1-3-5-16/h1-9,14H,10-12H2
InChIKeyJENKMDHFRKMCEW-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.92
Rot. Bonds4

About (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 19615469) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID19615469
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)12-23-18(22)14-10-17(21)20(11-14)16-4-2-1-3-5-16/h1-9,14H,10-12H2
InChIKeyJENKMDHFRKMCEW-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19590567
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615215
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
(3-fluoro-4-methoxyphenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55325705
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
(4-methylphenyl)methyl (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466348
(4-nitrophenyl)methyl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1096995
(4-nitrophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2872535
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7891959
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 19615469) is (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(OCc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is JENKMDHFRKMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-8-6-13(7-9-15)12-23-18(22)14-10-17(21)20(11-14)16-4-2-1-3-5-16/h1-9,14H,10-12H2.
What are the key properties of (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 19615469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).