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

C21H17ClFN3O4 — CID 177262387

IUPAC4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
SMILESO=C1CCC(N2Cc3c(ccc(CNC(=O)c4ccc(Cl)cc4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C21H17ClFN3O4/c22-13-4-1-11(2-5-13)19(28)24-9-12-3-6-14-15(18(12)23)10-26(21(14)30)16-7-8-17(27)25-20(16)29/h1-6,16H,7-10H2,(H,24,28)(H,25,27,29)
InChIKeyONOCOQFYZKCXAU-UHFFFAOYSA-N
MW429.84 g/mol
LogP2.17
Rot. Bonds4

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

4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (PubChem CID 177262387) has the molecular formula C21H17ClFN3O4 and a molecular weight of 429.84 g/mol. Its IUPAC name is 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
PubChem CID177262387
Molecular FormulaC21H17ClFN3O4
Molecular Weight429.84 g/mol
Exact Mass429.09
IUPAC Name4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
SMILESO=C1CCC(N2Cc3c(ccc(CNC(=O)c4ccc(Cl)cc4)c3F)C2=O)C(=O)N1
InChIInChI=1S/C21H17ClFN3O4/c22-13-4-1-11(2-5-13)19(28)24-9-12-3-6-14-15(18(12)23)10-26(21(14)30)16-7-8-17(27)25-20(16)29/h1-6,16H,7-10H2,(H,24,28)(H,25,27,29)
InChIKeyONOCOQFYZKCXAU-UHFFFAOYSA-N
XLogP2.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 52.17
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-cyclopropyl-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide
CID 177262442
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
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
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-(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
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindole-5-carboxamide
CID 155338898
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)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3-hydroxybenzamide
CID 177262491
2-(4-chlorophenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-oxoacetamide
CID 155316321
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide (CID 177262387) is 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-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(Cl)cc4)c3F)C2=O)C(=O)N1.
What is the InChIKey of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
The InChIKey is ONOCOQFYZKCXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4/c22-13-4-1-11(2-5-13)19(28)24-9-12-3-6-14-15(18(12)23)10-26(21(14)30)16-7-8-17(27)25-20(16)29/h1-6,16H,7-10H2,(H,24,28)(H,25,27,29).
What are the key properties of 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide?
4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide has a molecular weight of 429.84 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]benzamide is sourced from PubChem (CID 177262387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).