2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide

C23H17FN2O3 — CID 110343482

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccccc1F
InChIInChI=1S/C23H17FN2O3/c24-20-8-4-1-5-16(20)14-25-21(27)13-15-9-11-17(12-10-15)26-22(28)18-6-2-3-7-19(18)23(26)29/h1-12H,13-14H2,(H,25,27)
InChIKeyVKEBJPUCUNBEDG-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 110343482) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID110343482
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccccc1F
InChIInChI=1S/C23H17FN2O3/c24-20-8-4-1-5-16(20)14-25-21(27)13-15-9-11-17(12-10-15)26-22(28)18-6-2-3-7-19(18)23(26)29/h1-12H,13-14H2,(H,25,27)
InChIKeyVKEBJPUCUNBEDG-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.49
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

4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(2-phenylethyl)acetamide
CID 110343488
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 110343482) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NCc1ccccc1F.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is VKEBJPUCUNBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-20-8-4-1-5-16(20)14-25-21(27)13-15-9-11-17(12-10-15)26-22(28)18-6-2-3-7-19(18)23(26)29/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 110343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).