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

C23H19F3N4O4 — CID 176766770

IUPACN-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C1CC[C@H](N2Cc3cc(NC(=O)N4c5ccccc5CC4C(F)(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)18-10-12-3-1-2-4-16(12)30(18)22(34)27-14-5-6-15-13(9-14)11-29(21(15)33)17-7-8-19(31)28-20(17)32/h1-6,9,17-18H,7-8,10-11H2,(H,27,34)(H,28,31,32)/t17-,18?/m0/s1
InChIKeyXVXAAICWIODLGA-ZENAZSQFSA-N
MW472.42 g/mol
LogP2.97
Rot. Bonds2

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

N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 176766770) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID176766770
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC NameN-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C1CC[C@H](N2Cc3cc(NC(=O)N4c5ccccc5CC4C(F)(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H19F3N4O4/c24-23(25,26)18-10-12-3-1-2-4-16(12)30(18)22(34)27-14-5-6-15-13(9-14)11-29(21(15)33)17-7-8-19(31)28-20(17)32/h1-6,9,17-18H,7-8,10-11H2,(H,27,34)(H,28,31,32)/t17-,18?/m0/s1
InChIKeyXVXAAICWIODLGA-ZENAZSQFSA-N
XLogP2.97
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.97
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
(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
2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 175968747
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 176766826
N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 176766825
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864
3-[6-(2-bromoethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167274132
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
CID 177187974
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylmorpholine-4-carboxamide
CID 166426751
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 176766722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 176766770) is N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is O=C1CC[C@H](N2Cc3cc(NC(=O)N4c5ccccc5CC4C(F)(F)F)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is XVXAAICWIODLGA-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c24-23(25,26)18-10-12-3-1-2-4-16(12)30(18)22(34)27-14-5-6-15-13(9-14)11-29(21(15)33)17-7-8-19(31)28-20(17)32/h1-6,9,17-18H,7-8,10-11H2,(H,27,34)(H,28,31,32)/t17-,18?/m0/s1.
What are the key properties of N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 176766770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).