N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide

C25H20FN3O3 — CID 110545385

IUPACN-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H20FN3O3/c1-16(30)27-19-12-14-21(15-13-19)29-24(31)22(17-8-10-18(26)11-9-17)23(25(29)32)28(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,27,30)
InChIKeyDJZWXZWMFPQKHP-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.20
Rot. Bonds5

About N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide

N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide (PubChem CID 110545385) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
PubChem CID110545385
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H20FN3O3/c1-16(30)27-19-12-14-21(15-13-19)29-24(31)22(17-8-10-18(26)11-9-17)23(25(29)32)28(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,27,30)
InChIKeyDJZWXZWMFPQKHP-UHFFFAOYSA-N
XLogP4.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
N-[4-[1-(2-methoxyphenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563580
propyl 4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]benzoate
CID 110545109
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
N-[4-[3-(4-fluoroanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587150
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
N-[4-[3-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-4-phenylpyrrol-1-yl]phenyl]acetamide
CID 110561327
N-[4-[4-[benzyl(methyl)amino]-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563550
N-[4-[4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110563448
N-[4-[1-cycloheptyl-4-(N-methylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562833
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide (CID 110545385) is N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
The InChIKey is DJZWXZWMFPQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-16(30)27-19-12-14-21(15-13-19)29-24(31)22(17-8-10-18(26)11-9-17)23(25(29)32)28(2)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,27,30).
What are the key properties of N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide?
N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide has a molecular weight of 429.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 110545385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).