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

C19H18FNO3 — CID 2239619

IUPAC(2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2C[C@H](C(=O)OCc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C19H18FNO3/c1-13-6-8-16(9-7-13)21-11-15(10-18(21)22)19(23)24-12-14-4-2-3-5-17(14)20/h2-9,15H,10-12H2,1H3/t15-/m1/s1
InChIKeyRIBVRZNODBWRAL-OAHLLOKOSA-N
MW327.36 g/mol
LogP3.23
Rot. Bonds4

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

(2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 2239619) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID2239619
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2C[C@H](C(=O)OCc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C19H18FNO3/c1-13-6-8-16(9-7-13)21-11-15(10-18(21)22)19(23)24-12-14-4-2-3-5-17(14)20/h2-9,15H,10-12H2,1H3/t15-/m1/s1
InChIKeyRIBVRZNODBWRAL-OAHLLOKOSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 2239619) is (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(N2C[C@H](C(=O)OCc3ccccc3F)CC2=O)cc1.
What is the InChIKey of (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RIBVRZNODBWRAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-13-6-8-16(9-7-13)21-11-15(10-18(21)22)19(23)24-12-14-4-2-3-5-17(14)20/h2-9,15H,10-12H2,1H3/t15-/m1/s1.
What are the key properties of (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
(2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2239619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).