(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

C21H16FNO3 — CID 97310896

IUPAC(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16FNO3/c22-16-8-10-17(11-9-16)26-21(25)15-12-20(24)23(13-15)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,15H,12-13H2/t15-/m1/s1
InChIKeyUROIATUUJNHHEA-OAHLLOKOSA-N
MW349.36 g/mol
LogP3.94
Rot. Bonds3

About (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (PubChem CID 97310896) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
PubChem CID97310896
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16FNO3/c22-16-8-10-17(11-9-16)26-21(25)15-12-20(24)23(13-15)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,15H,12-13H2/t15-/m1/s1
InChIKeyUROIATUUJNHHEA-OAHLLOKOSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 9057249
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8572256
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 166182466
(4-bromophenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057570
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057474
(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057637
(4-fluorophenyl) (3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 31860794
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 32509787
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056947

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (CID 97310896) is (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is O=C(Oc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is UROIATUUJNHHEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-16-8-10-17(11-9-16)26-21(25)15-12-20(24)23(13-15)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,15H,12-13H2/t15-/m1/s1.
What are the key properties of (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 97310896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).