1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C22H20F2N2O4 — CID 110565146

IUPAC1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1OC
InChIInChI=1S/C22H20F2N2O4/c1-29-17-8-5-13(11-18(17)30-2)19-20(25-9-3-4-10-25)22(28)26(21(19)27)16-12-14(23)6-7-15(16)24/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyHRTUNDMTJWAKAC-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.36
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110565146) has the molecular formula C22H20F2N2O4 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110565146
Molecular FormulaC22H20F2N2O4
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Name1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1OC
InChIInChI=1S/C22H20F2N2O4/c1-29-17-8-5-13(11-18(17)30-2)19-20(25-9-3-4-10-25)22(28)26(21(19)27)16-12-14(23)6-7-15(16)24/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyHRTUNDMTJWAKAC-UHFFFAOYSA-N
XLogP3.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110565149
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564830
3-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564799
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
3-(3,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-ylpyrrole-2,5-dione
CID 110563829
1-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
1-(2,5-difluorophenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574740
3-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110563810
1-(2,5-difluorophenyl)-3-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548112
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548085
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543257

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110565146) is 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCC3)C(=O)N(c3cc(F)ccc3F)C2=O)cc1OC.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is HRTUNDMTJWAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4/c1-29-17-8-5-13(11-18(17)30-2)19-20(25-9-3-4-10-25)22(28)26(21(19)27)16-12-14(23)6-7-15(16)24/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 414.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).