N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C26H22FN3O3 — CID 110596270

IUPACN-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H22FN3O3/c1-16-6-8-18(9-7-16)15-30-25(32)23(19-10-12-21(13-11-19)28-17(2)31)24(26(30)33)29-22-5-3-4-20(27)14-22/h3-14,29H,15H2,1-2H3,(H,28,31)
InChIKeyPOBLDWROHBPJRE-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596270) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596270
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C26H22FN3O3/c1-16-6-8-18(9-7-16)15-30-25(32)23(19-10-12-21(13-11-19)28-17(2)31)24(26(30)33)29-22-5-3-4-20(27)14-22/h3-14,29H,15H2,1-2H3,(H,28,31)
InChIKeyPOBLDWROHBPJRE-UHFFFAOYSA-N
XLogP4.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
N-[4-[4-(3-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596519
N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596693
3-(4-ethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600475
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596341
3-(3,5-dimethylanilino)-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110600465
1-benzyl-3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110596880
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586406
1-[(4-fluorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594690
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110599098
3-(4-methoxyanilino)-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600407

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596270) is N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is POBLDWROHBPJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-16-6-8-18(9-7-16)15-30-25(32)23(19-10-12-21(13-11-19)28-17(2)31)24(26(30)33)29-22-5-3-4-20(27)14-22/h3-14,29H,15H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).