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

C24H24FN3O3 — CID 110563281

IUPACN-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C24H24FN3O3/c1-15-11-13-27(14-12-15)22-21(17-7-9-18(10-8-17)26-16(2)29)23(30)28(24(22)31)20-6-4-3-5-19(20)25/h3-10,15H,11-14H2,1-2H3,(H,26,29)
InChIKeyYWWZSIASUWOKNL-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.80
Rot. Bonds4

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

N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110563281) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110563281
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C24H24FN3O3/c1-15-11-13-27(14-12-15)22-21(17-7-9-18(10-8-17)26-16(2)29)23(30)28(24(22)31)20-6-4-3-5-19(20)25/h3-10,15H,11-14H2,1-2H3,(H,26,29)
InChIKeyYWWZSIASUWOKNL-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.80
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-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560657
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557240
3-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549845
1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575818
N-[4-[1-ethyl-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562647
N-[4-[1-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563569
N-[4-[1-(2-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563681
1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562182
N-[4-[4-(4-methylpiperidin-1-yl)-2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562376
1-(2-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560663
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110570511
1-(2-fluorophenyl)-3-(3-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575819

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110563281) is N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCC(C)CC3)C(=O)N(c3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is YWWZSIASUWOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-15-11-13-27(14-12-15)22-21(17-7-9-18(10-8-17)26-16(2)29)23(30)28(24(22)31)20-6-4-3-5-19(20)25/h3-10,15H,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 421.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110563281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).