1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione

C23H23FN2O2 — CID 110543947

IUPAC1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(C2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C23H23FN2O2/c1-25(18-8-4-2-5-9-18)21-20(16-12-14-17(24)15-13-16)22(27)26(23(21)28)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3
InChIKeyJLIMCXHUPSPUEK-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.37
Rot. Bonds4

About 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione

1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110543947) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110543947
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(F)cc2)C(=O)N(C2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C23H23FN2O2/c1-25(18-8-4-2-5-9-18)21-20(16-12-14-17(24)15-13-16)22(27)26(23(21)28)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3
InChIKeyJLIMCXHUPSPUEK-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110543947) is 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is CN(C1=C(c2ccc(F)cc2)C(=O)N(C2CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is JLIMCXHUPSPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-25(18-8-4-2-5-9-18)21-20(16-12-14-17(24)15-13-16)22(27)26(23(21)28)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 378.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110543947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).