1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione

C26H24FN3O2 — CID 110585924

IUPAC1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1C
InChIInChI=1S/C26H24FN3O2/c1-16-6-5-7-22(17(16)2)28-24-23(18-8-10-19(27)11-9-18)25(31)30(26(24)32)21-14-12-20(13-15-21)29(3)4/h5-15,28H,1-4H3
InChIKeyMRDWSOGVEMBCCL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110585924) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110585924
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1C
InChIInChI=1S/C26H24FN3O2/c1-16-6-5-7-22(17(16)2)28-24-23(18-8-10-19(27)11-9-18)25(31)30(26(24)32)21-14-12-20(13-15-21)29(3)4/h5-15,28H,1-4H3
InChIKeyMRDWSOGVEMBCCL-UHFFFAOYSA-N
XLogP4.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.91
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

3-(3-chloro-2-methylanilino)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585913
3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110586852
N-[4-[3-(2,3-dimethylanilino)-4-(4-fluorophenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110587161
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110597186
1-[4-(diethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600289
3-[4-(dimethylamino)anilino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595070
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589264
1-(4-chlorophenyl)-3-(2,3-dimethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593544
3-(2,5-dimethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110586719
1-(3-chloro-4-fluorophenyl)-3-(2,3-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595486
3-(2,3-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593941
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 110599929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110585924) is 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is Cc1cccc(NC2=C(c3ccc(F)cc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c1C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is MRDWSOGVEMBCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-16-6-5-7-22(17(16)2)28-24-23(18-8-10-19(27)11-9-18)25(31)30(26(24)32)21-14-12-20(13-15-21)29(3)4/h5-15,28H,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 429.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2,3-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110585924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).