5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione

C24H20FN3O4 — CID 31307418

IUPAC5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN3O4/c25-20-5-1-2-6-21(20)26-9-11-27(12-10-26)22(29)16-7-8-18-19(14-16)24(31)28(23(18)30)15-17-4-3-13-32-17/h1-8,13-14H,9-12,15H2
InChIKeyBZQDGEMIKQWOPM-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.18
Rot. Bonds4

About 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 31307418) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
PubChem CID31307418
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN3O4/c25-20-5-1-2-6-21(20)26-9-11-27(12-10-26)22(29)16-7-8-18-19(14-16)24(31)28(23(18)30)15-17-4-3-13-32-17/h1-8,13-14H,9-12,15H2
InChIKeyBZQDGEMIKQWOPM-UHFFFAOYSA-N
XLogP3.18
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27259303
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27798954
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
2-(furan-2-ylmethyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindole-1,3-dione
CID 24541454
2-benzyl-5-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 46423524
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55515344
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2491106
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
(2,3,4,5,6-pentafluorophenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 16511203
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione (CID 31307418) is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is BZQDGEMIKQWOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-20-5-1-2-6-21(20)26-9-11-27(12-10-26)22(29)16-7-8-18-19(14-16)24(31)28(23(18)30)15-17-4-3-13-32-17/h1-8,13-14H,9-12,15H2.
What are the key properties of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione?
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 433.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 31307418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).