1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide

C17H21F2N3O3 — CID 46048534

IUPAC1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C17H21F2N3O3/c18-12-1-2-15(14(19)11-12)22-5-3-13(17(22)24)16(23)20-4-6-21-7-9-25-10-8-21/h1-2,11,13H,3-10H2,(H,20,23)
InChIKeyCICYZQNSSKJBNM-UHFFFAOYSA-N
MW353.37 g/mol
LogP0.77
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048534) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46048534
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C17H21F2N3O3/c18-12-1-2-15(14(19)11-12)22-5-3-13(17(22)24)16(23)20-4-6-21-7-9-25-10-8-21/h1-2,11,13H,3-10H2,(H,20,23)
InChIKeyCICYZQNSSKJBNM-UHFFFAOYSA-N
XLogP0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide (CID 46048534) is 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CCN(c2ccc(F)cc2F)C1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CICYZQNSSKJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c18-12-1-2-15(14(19)11-12)22-5-3-13(17(22)24)16(23)20-4-6-21-7-9-25-10-8-21/h1-2,11,13H,3-10H2,(H,20,23).
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).