4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide

C24H22FN3O4 — CID 177262442

IUPAC4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
SMILESO=C1CCC(N2Cc3c(ccc(CNC(=O)c4ccc(C5CC5)cc4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C24H22FN3O4/c25-21-16(11-26-22(30)15-5-3-14(4-6-15)13-1-2-13)7-8-17-18(21)12-28(24(17)32)19-9-10-20(29)27-23(19)31/h3-8,13,19H,1-2,9-12H2,(H,26,30)(H,27,29,31)
InChIKeyCAVWLFLDTLEMNJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.39
Rot. Bonds5

About 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide

4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (PubChem CID 177262442) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
PubChem CID177262442
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
SMILESO=C1CCC(N2Cc3c(ccc(CNC(=O)c4ccc(C5CC5)cc4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C24H22FN3O4/c25-21-16(11-26-22(30)15-5-3-14(4-6-15)13-1-2-13)7-8-17-18(21)12-28(24(17)32)19-9-10-20(29)27-23(19)31/h3-8,13,19H,1-2,9-12H2,(H,26,30)(H,27,29,31)
InChIKeyCAVWLFLDTLEMNJ-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.39
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

4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262387
4-(dimethylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262438
N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 177262422
2-[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]acetic acid
CID 176908233
N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 168872213
1-(5-chloro-2-fluoro-3-propan-2-ylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 172547402
1-(4-chloro-5-methoxy-2-propan-2-ylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 172547293
2-[(1-benzyl-2,3-dihydroindol-3-yl)oxy]-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]acetamide
CID 177262358
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155316219
3-[7-fluoro-3-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206578
N-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3-hydroxybenzamide
CID 177262491
3-[7-[[2-fluoro-3-(methylamino)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 121314565

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The IUPAC name of 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (CID 177262442) is 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The canonical SMILES for 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide is O=C1CCC(N2Cc3c(ccc(CNC(=O)c4ccc(C5CC5)cc4)c3F)C2=O)C(=O)N1.
What is the InChIKey of 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The InChIKey is CAVWLFLDTLEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-21-16(11-26-22(30)15-5-3-14(4-6-15)13-1-2-13)7-8-17-18(21)12-28(24(17)32)19-9-10-20(29)27-23(19)31/h3-8,13,19H,1-2,9-12H2,(H,26,30)(H,27,29,31).
What are the key properties of 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide has a molecular weight of 435.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide is sourced from PubChem (CID 177262442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).