3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione

C14H16F2N2O2 — CID 103585414

IUPAC3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(F)c(C)cc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)8(2)5-10(11)16/h5-6,12,17H,3-4,7H2,1-2H3
InChIKeyDVZQFPSHVRZXNK-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.22
Rot. Bonds4

About 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione

3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione (PubChem CID 103585414) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
PubChem CID103585414
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(F)c(C)cc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)8(2)5-10(11)16/h5-6,12,17H,3-4,7H2,1-2H3
InChIKeyDVZQFPSHVRZXNK-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.22
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-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione (CID 103585414) is 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Nc2cc(F)c(C)cc2F)C1=O.
What is the InChIKey of 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is DVZQFPSHVRZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-4-18-13(19)7-12(14(18)20)17-11-6-9(15)8(2)5-10(11)16/h5-6,12,17H,3-4,7H2,1-2H3.
What are the key properties of 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione?
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 282.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 103585414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).