N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide

C17H20FN3O4 — CID 56893335

IUPACN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C(=O)N1CCOCC1
InChIInChI=1S/C17H20FN3O4/c18-13-3-1-2-12(8-13)10-21-11-14(9-15(21)22)19-16(23)17(24)20-4-6-25-7-5-20/h1-3,8,14H,4-7,9-11H2,(H,19,23)
InChIKeyBPSZVTYTAKRMEJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP-0.10
Rot. Bonds3

About N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 56893335) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID56893335
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C(=O)N1CCOCC1
InChIInChI=1S/C17H20FN3O4/c18-13-3-1-2-12(8-13)10-21-11-14(9-15(21)22)19-16(23)17(24)20-4-6-25-7-5-20/h1-3,8,14H,4-7,9-11H2,(H,19,23)
InChIKeyBPSZVTYTAKRMEJ-UHFFFAOYSA-N
XLogP-0.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide (CID 56893335) is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide is O=C(NC1CC(=O)N(Cc2cccc(F)c2)C1)C(=O)N1CCOCC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is BPSZVTYTAKRMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-13-3-1-2-12(8-13)10-21-11-14(9-15(21)22)19-16(23)17(24)20-4-6-25-7-5-20/h1-3,8,14H,4-7,9-11H2,(H,19,23).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide?
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 349.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 56893335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).