N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide

C23H21FN4O4 — CID 176766825

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)Nc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C23H21FN4O4/c1-12-8-13-4-2-3-5-18(13)28(12)23(32)25-17-9-14-11-27(22(31)15(14)10-16(17)24)19-6-7-20(29)26-21(19)30/h2-5,9-10,12,19H,6-8,11H2,1H3,(H,25,32)(H,26,29,30)
InChIKeyLSHRUPSDHDJWGE-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.57
Rot. Bonds2

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

N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 176766825) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID176766825
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)Nc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C23H21FN4O4/c1-12-8-13-4-2-3-5-18(13)28(12)23(32)25-17-9-14-11-27(22(31)15(14)10-16(17)24)19-6-7-20(29)26-21(19)30/h2-5,9-10,12,19H,6-8,11H2,1H3,(H,25,32)(H,26,29,30)
InChIKeyLSHRUPSDHDJWGE-UHFFFAOYSA-N
XLogP2.57
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.57
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

(2R)-N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 175968705
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 176766770
2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 175968747
(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide
CID 175968724
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-6-iodo-1-oxo-3H-isoindol-5-yl]benzamide
CID 170628981
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 169310359
3-[6-[(4-benzhydryl-2,6-dimethylpiperazin-1-yl)methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829262
N-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3-hydroxybenzamide
CID 177262491
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 176766825) is N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)Nc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is LSHRUPSDHDJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-12-8-13-4-2-3-5-18(13)28(12)23(32)25-17-9-14-11-27(22(31)15(14)10-16(17)24)19-6-7-20(29)26-21(19)30/h2-5,9-10,12,19H,6-8,11H2,1H3,(H,25,32)(H,26,29,30).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.57, 2 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)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 176766825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).