3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H16F2N2O3 — CID 166416348

IUPAC3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3ccc(C(F)F)cc3)C2=O)C(=O)N1
InChIInChI=1S/C20H16F2N2O3/c21-18(22)12-6-4-11(5-7-12)13-2-1-3-14-15(13)10-24(20(14)27)16-8-9-17(25)23-19(16)26/h1-7,16,18H,8-10H2,(H,23,25,26)
InChIKeyDIFWURMLRJJYQA-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.05
Rot. Bonds3

About 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166416348) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166416348
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3ccc(C(F)F)cc3)C2=O)C(=O)N1
InChIInChI=1S/C20H16F2N2O3/c21-18(22)12-6-4-11(5-7-12)13-2-1-3-14-15(13)10-24(20(14)27)16-8-9-17(25)23-19(16)26/h1-7,16,18H,8-10H2,(H,23,25,26)
InChIKeyDIFWURMLRJJYQA-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416351
3-[5-[3-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167755691
3-[3-oxo-7-(4-propanoylphenyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166418922
3-[3-oxo-7-[4-(2-oxopiperidin-1-yl)phenyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423062
3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423081
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-[7-(4-octoxyphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 141341745
3-[7-[2-(difluoromethoxy)-6-fluoro-4-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423061
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
(3R)-3-(3-oxo-7-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 175756568
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166416348) is 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(cccc3-c3ccc(C(F)F)cc3)C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DIFWURMLRJJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-18(22)12-6-4-11(5-7-12)13-2-1-3-14-15(13)10-24(20(14)27)16-8-9-17(25)23-19(16)26/h1-7,16,18H,8-10H2,(H,23,25,26).
What are the key properties of 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 370.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166416348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).