4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

C15H15F3N2O3 — CID 2219814

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)19-12(21)5-2-8-20-13(22)6-7-14(20)23/h1,3-4,9H,2,5-8H2,(H,19,21)
InChIKeyJXBKDGLNWPDLRF-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.57
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 2219814) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID2219814
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)19-12(21)5-2-8-20-13(22)6-7-14(20)23/h1,3-4,9H,2,5-8H2,(H,19,21)
InChIKeyJXBKDGLNWPDLRF-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.57
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 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 2219814) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is JXBKDGLNWPDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)19-12(21)5-2-8-20-13(22)6-7-14(20)23/h1,3-4,9H,2,5-8H2,(H,19,21).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 2219814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).