N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C23H24FN3O4 — CID 23944470

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C1CC(N(CCN2CCOCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C23H24FN3O4/c24-19-9-5-4-8-18(19)22(29)26(11-10-25-12-14-31-15-13-25)20-16-21(28)27(23(20)30)17-6-2-1-3-7-17/h1-9,20H,10-16H2
InChIKeyVIUJIUIIZONOIJ-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.93
Rot. Bonds6

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 23944470) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID23944470
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C1CC(N(CCN2CCOCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C23H24FN3O4/c24-19-9-5-4-8-18(19)22(29)26(11-10-25-12-14-31-15-13-25)20-16-21(28)27(23(20)30)17-6-2-1-3-7-17/h1-9,20H,10-16H2
InChIKeyVIUJIUIIZONOIJ-UHFFFAOYSA-N
XLogP1.93
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 23944470) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is O=C1CC(N(CCN2CCOCC2)C(=O)c2ccccc2F)C(=O)N1c1ccccc1.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VIUJIUIIZONOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-19-9-5-4-8-18(19)22(29)26(11-10-25-12-14-31-15-13-25)20-16-21(28)27(23(20)30)17-6-2-1-3-7-17/h1-9,20H,10-16H2.
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 425.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 23944470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).