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

C26H22FN3O3 — CID 110596693

IUPACN-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1
InChIInChI=1S/C26H22FN3O3/c1-15-7-8-16(2)22(13-15)30-25(32)23(18-9-11-20(12-10-18)28-17(3)31)24(26(30)33)29-21-6-4-5-19(27)14-21/h4-14,29H,1-3H3,(H,28,31)
InChIKeyGIKIQNBHOMLJGK-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.80
Rot. Bonds5

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

N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110596693) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110596693
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1
InChIInChI=1S/C26H22FN3O3/c1-15-7-8-16(2)22(13-15)30-25(32)23(18-9-11-20(12-10-18)28-17(3)31)24(26(30)33)29-21-6-4-5-19(27)14-21/h4-14,29H,1-3H3,(H,28,31)
InChIKeyGIKIQNBHOMLJGK-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.80
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-(3-fluoroanilino)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596270
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110587449
N-[4-[3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587160
N-[4-[4-(3-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596519
N-[4-[4-(2,5-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596731
1-(2,5-difluorophenyl)-3-(3,4-dimethylphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589956
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110596727
3-(3-chloro-4-methoxyanilino)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586964
N-[4-[4-(3-ethoxyanilino)-1-(3-fluorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596609
N-[4-[4-(4-ethylanilino)-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596802
1-(2,4-dimethylphenyl)-3-(4-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587374
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110596693) is N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1.
What is the InChIKey of N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is GIKIQNBHOMLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-15-7-8-16(2)22(13-15)30-25(32)23(18-9-11-20(12-10-18)28-17(3)31)24(26(30)33)29-21-6-4-5-19(27)14-21/h4-14,29H,1-3H3,(H,28,31).
What are the key properties of N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,5-dimethylphenyl)-4-(3-fluoroanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110596693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).