3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

C20H21FN2O2 — CID 138958737

IUPAC3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-3-6-14-9-11-15(12-10-14)22-17-13-19(24)23(20(17)25)18-8-5-4-7-16(18)21/h4-5,7-12,17,22H,2-3,6,13H2,1H3
InChIKeyMFOHKOQPNBGIQX-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.91
Rot. Bonds6

About 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione

3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 138958737) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID138958737
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-3-6-14-9-11-15(12-10-14)22-17-13-19(24)23(20(17)25)18-8-5-4-7-16(18)21/h4-5,7-12,17,22H,2-3,6,13H2,1H3
InChIKeyMFOHKOQPNBGIQX-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
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 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione (CID 138958737) is 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is CCCCc1ccc(NC2CC(=O)N(c3ccccc3F)C2=O)cc1.
What is the InChIKey of 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is MFOHKOQPNBGIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-3-6-14-9-11-15(12-10-14)22-17-13-19(24)23(20(17)25)18-8-5-4-7-16(18)21/h4-5,7-12,17,22H,2-3,6,13H2,1H3.
What are the key properties of 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione?
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 340.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 138958737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).