2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide

C23H22FN3O4 — CID 178002255

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4/c1-23(2,14-6-8-15(24)9-7-14)26-20(29)16-5-3-4-13-12-27(22(31)19(13)16)17-10-11-18(28)25-21(17)30/h3-9,17H,10-12H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyQZPHCPKTRCJVIA-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.25
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 178002255) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID178002255
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O4/c1-23(2,14-6-8-15(24)9-7-14)26-20(29)16-5-3-4-13-12-27(22(31)19(13)16)17-10-11-18(28)25-21(17)30/h3-9,17H,10-12H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyQZPHCPKTRCJVIA-UHFFFAOYSA-N
XLogP2.25
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluoro-2-methoxybenzoyl)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 174550509
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
N-[(3,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
CID 67230176
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443
N-(4-amino-2-methylbutan-2-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxamide;hydrochloride
CID 167877084
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714655
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-fluorobenzamide
CID 154810838
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
CID 154810843

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 178002255) is 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide is CC(C)(NC(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is QZPHCPKTRCJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-23(2,14-6-8-15(24)9-7-14)26-20(29)16-5-3-4-13-12-27(22(31)19(13)16)17-10-11-18(28)25-21(17)30/h3-9,17H,10-12H2,1-2H3,(H,26,29)(H,25,28,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 178002255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).