1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O3 — CID 46109615

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-17-4-2-3-16(10-17)21-19(24)14-9-18(23)22(12-14)11-13-5-7-15(20)8-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24)
InChIKeyNHHBCYSQTYVKCU-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.82
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109615) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46109615
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-17-4-2-3-16(10-17)21-19(24)14-9-18(23)22(12-14)11-13-5-7-15(20)8-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24)
InChIKeyNHHBCYSQTYVKCU-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46109615) is 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NHHBCYSQTYVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-17-4-2-3-16(10-17)21-19(24)14-9-18(23)22(12-14)11-13-5-7-15(20)8-6-13/h2-8,10,14H,9,11-12H2,1H3,(H,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).