(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C24H18FNO4 — CID 8572256

IUPAC(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C24H18FNO4/c25-20-8-4-5-9-21(20)26-15-18(14-22(26)27)24(29)30-19-12-10-17(11-13-19)23(28)16-6-2-1-3-7-16/h1-13,18H,14-15H2/t18-/m1/s1
InChIKeyAIPPVNJWESDXPV-GOSISDBHSA-N
MW403.41 g/mol
LogP4.02
Rot. Bonds5

About (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 8572256) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID8572256
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1
InChIInChI=1S/C24H18FNO4/c25-20-8-4-5-9-21(20)26-15-18(14-22(26)27)24(29)30-19-12-10-17(11-13-19)23(28)16-6-2-1-3-7-16/h1-13,18H,14-15H2/t18-/m1/s1
InChIKeyAIPPVNJWESDXPV-GOSISDBHSA-N
XLogP4.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 97310896
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057474
(4-methoxycarbonylphenyl) 1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxylate
CID 43059416
(4-bromophenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057570
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
(1-amino-1-oxopropan-2-yl) 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 154774254
(3,4-dimethylphenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057592
(4-methoxycarbonylphenyl) (3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8961223
(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26361230
[4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 32998761

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 8572256) is (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is O=C(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1.
What is the InChIKey of (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AIPPVNJWESDXPV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H18FNO4/c25-20-8-4-5-9-21(20)26-15-18(14-22(26)27)24(29)30-19-12-10-17(11-13-19)23(28)16-6-2-1-3-7-16/h1-13,18H,14-15H2/t18-/m1/s1.
What are the key properties of (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 403.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 8572256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).