2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide

C24H19FN2O3 — CID 153453932

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(c2ccccc2)C(C(=O)NF)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19FN2O3/c1-15-11-13-17(14-12-15)20(16-7-3-2-4-8-16)21(22(28)26-25)27-23(29)18-9-5-6-10-19(18)24(27)30/h2-14,20-21H,1H3,(H,26,28)
InChIKeyWSULYHHERJLTCR-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.79
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide (PubChem CID 153453932) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide
PubChem CID153453932
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(c2ccccc2)C(C(=O)NF)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19FN2O3/c1-15-11-13-17(14-12-15)20(16-7-3-2-4-8-16)21(22(28)26-25)27-23(29)18-9-5-6-10-19(18)24(27)30/h2-14,20-21H,1H3,(H,26,28)
InChIKeyWSULYHHERJLTCR-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,4S)-1,5-bis(3,4-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)-3-oxo-1,5-diphenylpentan-2-yl]isoindole-1,3-dione
CID 70363603
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylbutanoate
CID 135006822
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 978736
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide
CID 101037296
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide (CID 153453932) is 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide is Cc1ccc(C(c2ccccc2)C(C(=O)NF)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide?
The InChIKey is WSULYHHERJLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-11-13-17(14-12-15)20(16-7-3-2-4-8-16)21(22(28)26-25)27-23(29)18-9-5-6-10-19(18)24(27)30/h2-14,20-21H,1H3,(H,26,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide has a molecular weight of 402.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-fluoro-3-(4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 153453932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).