N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide

C22H20FN3O4 — CID 23832309

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(F)cc1)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C22H20FN3O4/c1-3-12-25(21(29)15-4-6-16(23)7-5-15)19-13-20(28)26(22(19)30)18-10-8-17(9-11-18)24-14(2)27/h3-11,19H,1,12-13H2,2H3,(H,24,27)
InChIKeyCUVSLUCRMDHCJS-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.74
Rot. Bonds6

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide (PubChem CID 23832309) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide
PubChem CID23832309
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(F)cc1)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O
InChIInChI=1S/C22H20FN3O4/c1-3-12-25(21(29)15-4-6-16(23)7-5-15)19-13-20(28)26(22(19)30)18-10-8-17(9-11-18)24-14(2)27/h3-11,19H,1,12-13H2,2H3,(H,24,27)
InChIKeyCUVSLUCRMDHCJS-UHFFFAOYSA-N
XLogP2.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
CID 23972640
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878
methyl 4-[3-[(3-methoxybenzoyl)-prop-2-enylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832241
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
CID 23803632
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-prop-2-enylurea
CID 2958421
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 23745219
ethyl 4-[(3S)-3-[(4-fluorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 92656705
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2-chlorophenyl)methyl]-4-nitrobenzamide
CID 23916562
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
CID 23832427

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide (CID 23832309) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(F)cc1)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide?
The InChIKey is CUVSLUCRMDHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-3-12-25(21(29)15-4-6-16(23)7-5-15)19-13-20(28)26(22(19)30)18-10-8-17(9-11-18)24-14(2)27/h3-11,19H,1,12-13H2,2H3,(H,24,27).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide has a molecular weight of 409.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 23832309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).