N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide

C21H16FN3O5 — CID 142156250

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide
SMILESO=C1CCC(N2C(=O)c3cccc(NC(=O)c4cccc(CF)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H16FN3O5/c22-10-11-3-1-4-12(9-11)18(27)23-14-6-2-5-13-17(14)21(30)25(20(13)29)15-7-8-16(26)24-19(15)28/h1-6,9,15H,7-8,10H2,(H,23,27)(H,24,26,28)
InChIKeyPFEKTRJRZGAMLM-UHFFFAOYSA-N
MW409.37 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide (PubChem CID 142156250) has the molecular formula C21H16FN3O5 and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide
PubChem CID142156250
Molecular FormulaC21H16FN3O5
Molecular Weight409.37 g/mol
Exact Mass409.11
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide
SMILESO=C1CCC(N2C(=O)c3cccc(NC(=O)c4cccc(CF)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C21H16FN3O5/c22-10-11-3-1-4-12(9-11)18(27)23-14-6-2-5-13-17(14)21(30)25(20(13)29)15-7-8-16(26)24-19(15)28/h1-6,9,15H,7-8,10H2,(H,23,27)(H,24,26,28)
InChIKeyPFEKTRJRZGAMLM-UHFFFAOYSA-N
XLogP1.81
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-(trifluoromethyl)benzamide;methane
CID 159040343
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-hydroxyhexanamide
CID 155292112
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzamide
CID 175730464
2-(2-chloroethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139466001
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832
3-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 155292409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide (CID 142156250) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide is O=C1CCC(N2C(=O)c3cccc(NC(=O)c4cccc(CF)c4)c3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide?
The InChIKey is PFEKTRJRZGAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O5/c22-10-11-3-1-4-12(9-11)18(27)23-14-6-2-5-13-17(14)21(30)25(20(13)29)15-7-8-16(26)24-19(15)28/h1-6,9,15H,7-8,10H2,(H,23,27)(H,24,26,28).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide has a molecular weight of 409.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-(fluoromethyl)benzamide is sourced from PubChem (CID 142156250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).