2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C19H19FN2O3 — CID 19709552

IUPAC2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)C(c2ccccc2F)N1)c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-22(12-7-3-2-4-8-12)18(23)16-11-14(19(24)25)17(21-16)13-9-5-6-10-15(13)20/h2-10,14,16-17,21H,11H2,1H3,(H,24,25)
InChIKeyXCNSHMFMJFUZGI-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid

2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 19709552) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID19709552
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)C(c2ccccc2F)N1)c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-22(12-7-3-2-4-8-12)18(23)16-11-14(19(24)25)17(21-16)13-9-5-6-10-15(13)20/h2-10,14,16-17,21H,11H2,1H3,(H,24,25)
InChIKeyXCNSHMFMJFUZGI-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 19709552) is 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid is CN(C(=O)C1CC(C(=O)O)C(c2ccccc2F)N1)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XCNSHMFMJFUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22(12-7-3-2-4-8-12)18(23)16-11-14(19(24)25)17(21-16)13-9-5-6-10-15(13)20/h2-10,14,16-17,21H,11H2,1H3,(H,24,25).
What are the key properties of 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).