N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide

C20H15F2N3O4 — CID 154810843

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
SMILESO=C1CCC(N2Cc3c(NC(=O)c4ccc(F)cc4F)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15F2N3O4/c21-10-4-5-12(14(22)8-10)18(27)23-15-3-1-2-11-13(15)9-25(20(11)29)16-6-7-17(26)24-19(16)28/h1-5,8,16H,6-7,9H2,(H,23,27)(H,24,26,28)
InChIKeyNAUGUECGJGRBAZ-UHFFFAOYSA-N
MW399.35 g/mol
LogP1.98
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide (PubChem CID 154810843) has the molecular formula C20H15F2N3O4 and a molecular weight of 399.35 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
PubChem CID154810843
Molecular FormulaC20H15F2N3O4
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
SMILESO=C1CCC(N2Cc3c(NC(=O)c4ccc(F)cc4F)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H15F2N3O4/c21-10-4-5-12(14(22)8-10)18(27)23-15-3-1-2-11-13(15)9-25(20(11)29)16-6-7-17(26)24-19(16)28/h1-5,8,16H,6-7,9H2,(H,23,27)(H,24,26,28)
InChIKeyNAUGUECGJGRBAZ-UHFFFAOYSA-N
XLogP1.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 51.98
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-[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]-5-fluorothiophene-2-carboxamide
CID 166425662
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 90005762
2-(2-aminoethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;hydrochloride
CID 155292321
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-octylbenzamide
CID 73293447
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175815332

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide (CID 154810843) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide is O=C1CCC(N2Cc3c(NC(=O)c4ccc(F)cc4F)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide?
The InChIKey is NAUGUECGJGRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O4/c21-10-4-5-12(14(22)8-10)18(27)23-15-3-1-2-11-13(15)9-25(20(11)29)16-6-7-17(26)24-19(16)28/h1-5,8,16H,6-7,9H2,(H,23,27)(H,24,26,28).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide has a molecular weight of 399.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 154810843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).