3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione

C24H20FN3O2 — CID 110595070

IUPAC3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C24H20FN3O2/c1-27(2)19-14-10-18(11-15-19)26-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-12-8-17(25)9-13-20/h3-15,26H,1-2H3
InChIKeyIEMVVVOPVCQHDW-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.29
Rot. Bonds5

About 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione

3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595070) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595070
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C24H20FN3O2/c1-27(2)19-14-10-18(11-15-19)26-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-12-8-17(25)9-13-20/h3-15,26H,1-2H3
InChIKeyIEMVVVOPVCQHDW-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-3-[4-(dimethylamino)anilino]-4-phenylpyrrole-2,5-dione
CID 110596193
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-phenylpyrrole-2,5-dione
CID 110587025
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585924
1-(3-chloro-4-methoxyphenyl)-3-[4-(dimethylamino)anilino]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586763
3-(3-chloro-2-methylanilino)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585913
N-[4-[3-(4-fluoroanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587150
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110600077
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599734
3-[4-(dimethylamino)anilino]-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593898
propyl 4-[3-(4-fluoroanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110595456

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione (CID 110595070) is 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione is CN(C)c1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is IEMVVVOPVCQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-27(2)19-14-10-18(11-15-19)26-22-21(16-6-4-3-5-7-16)23(29)28(24(22)30)20-12-8-17(25)9-13-20/h3-15,26H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione?
3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 401.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).