2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

C21H18F2N2O2 — CID 90655823

IUPAC2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CC=C(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H18F2N2O2/c22-16-11-15(12-17(23)13-16)14-5-7-24(8-6-14)9-10-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-5,11-13H,6-10H2
InChIKeyYDQYMXKMPWRKNP-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 90655823) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID90655823
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CC=C(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H18F2N2O2/c22-16-11-15(12-17(23)13-16)14-5-7-24(8-6-14)9-10-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-5,11-13H,6-10H2
InChIKeyYDQYMXKMPWRKNP-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (CID 90655823) is 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CC=C(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YDQYMXKMPWRKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-16-11-15(12-17(23)13-16)14-5-7-24(8-6-14)9-10-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-5,11-13H,6-10H2.
What are the key properties of 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 368.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 90655823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).