N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C25H27FN4O5 — CID 23888503

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H27FN4O5/c1-17(31)27-18-6-8-19(9-7-18)30-23(32)16-22(25(30)34)29(11-10-28-12-14-35-15-13-28)24(33)20-4-2-3-5-21(20)26/h2-9,22H,10-16H2,1H3,(H,27,31)
InChIKeyBKXMTSXPCBWHDV-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.89
Rot. Bonds7

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 23888503) has the molecular formula C25H27FN4O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID23888503
Molecular FormulaC25H27FN4O5
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H27FN4O5/c1-17(31)27-18-6-8-19(9-7-18)30-23(32)16-22(25(30)34)29(11-10-28-12-14-35-15-13-28)24(33)20-4-2-3-5-21(20)26/h2-9,22H,10-16H2,1H3,(H,27,31)
InChIKeyBKXMTSXPCBWHDV-UHFFFAOYSA-N
XLogP1.89
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23944470
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25049291
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 23916588
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 23803578
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 23998908
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 23916700
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 23888617
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 23745254

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 23888503) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is CC(=O)Nc1ccc(N2C(=O)CC(N(CCN3CCOCC3)C(=O)c3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BKXMTSXPCBWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O5/c1-17(31)27-18-6-8-19(9-7-18)30-23(32)16-22(25(30)34)29(11-10-28-12-14-35-15-13-28)24(33)20-4-2-3-5-21(20)26/h2-9,22H,10-16H2,1H3,(H,27,31).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 482.51 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 23888503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).