2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione

C24H15F2N3O5 — CID 15991908

IUPAC2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C24H15F2N3O5/c1-12-5-10-15(11-17(12)26)27-20(13-6-8-14(25)9-7-13)21(24(27)32)28-22(30)16-3-2-4-18(29(33)34)19(16)23(28)31/h2-11,20-21H,1H3
InChIKeyNRQHWIVQEWKYHJ-UHFFFAOYSA-N
MW463.40 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione

2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione (PubChem CID 15991908) has the molecular formula C24H15F2N3O5 and a molecular weight of 463.40 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione
PubChem CID15991908
Molecular FormulaC24H15F2N3O5
Molecular Weight463.40 g/mol
Exact Mass463.10
IUPAC Name2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C24H15F2N3O5/c1-12-5-10-15(11-17(12)26)27-20(13-6-8-14(25)9-7-13)21(24(27)32)28-22(30)16-3-2-4-18(29(33)34)19(16)23(28)31/h2-11,20-21H,1H3
InChIKeyNRQHWIVQEWKYHJ-UHFFFAOYSA-N
XLogP3.93
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-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

Related Compounds

1h-Isoindole-1,3(2h)-dione, 4-nitro-2-phenyl-
CID 272783
N-cyclohexyl-N-methyl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2385615
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2914467
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-nitrobenzamide
CID 2299468
2-cyclohexyl-4-nitro-1H-isoindole-1,3(2H)-dione
CID 4032336
2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CID 830807
2-Benzyl-4-nitro-isoindole-1,3-dione
CID 233212
4-nitro-2-(1-phenylethyl)-1H-isoindole-1,3(2H)-dione
CID 2827467
3-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-N-m-tolyl-propionamide
CID 1115307
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-nitro-1H-isoindole-1,3(2H)-dione
CID 2889349
2-(2-(1-Benzylpiperidin-4-yl)ethyl)-4-nitroisoindoline-1,3-dione
CID 10091961
N-benzyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 691436

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione?
The IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione (CID 15991908) is 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione.
What is the SMILES notation for 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione?
The canonical SMILES for 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione is Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2c2ccc(F)cc2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione?
The InChIKey is NRQHWIVQEWKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O5/c1-12-5-10-15(11-17(12)26)27-20(13-6-8-14(25)9-7-13)21(24(27)32)28-22(30)16-3-2-4-18(29(33)34)19(16)23(28)31/h2-11,20-21H,1H3.
What are the key properties of 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione?
2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione has a molecular weight of 463.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione is sourced from PubChem (CID 15991908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).