(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

C19H19FN2O3 — CID 93331069

IUPAC(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCN(c3cccc(F)c3C)C2=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-12-16(20)4-3-5-17(12)22-11-10-15(19(22)24)18(23)21-13-6-8-14(25-2)9-7-13/h3-9,15H,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyLIUCMKSGLLBZSS-OAHLLOKOSA-N
MW342.37 g/mol
LogP3.13
Rot. Bonds4

About (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93331069) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93331069
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCN(c3cccc(F)c3C)C2=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-12-16(20)4-3-5-17(12)22-11-10-15(19(22)24)18(23)21-13-6-8-14(25-2)9-7-13/h3-9,15H,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyLIUCMKSGLLBZSS-OAHLLOKOSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 93331069) is (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCN(c3cccc(F)c3C)C2=O)cc1.
What is the InChIKey of (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is LIUCMKSGLLBZSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-16(20)4-3-5-17(12)22-11-10-15(19(22)24)18(23)21-13-6-8-14(25-2)9-7-13/h3-9,15H,10-11H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-2-methylphenyl)-N-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93331069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).