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

C23H17FN2O4 — CID 1116108

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)COc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O4/c24-16-10-12-17(13-11-16)25(21(27)14-30-18-6-2-1-3-7-18)15-26-22(28)19-8-4-5-9-20(19)23(26)29/h1-13H,14-15H2
InChIKeyAIEPGNMHSHJHNF-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.49
Rot. Bonds6

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

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide (PubChem CID 1116108) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide
PubChem CID1116108
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)COc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O4/c24-16-10-12-17(13-11-16)25(21(27)14-30-18-6-2-1-3-7-18)15-26-22(28)19-8-4-5-9-20(19)23(26)29/h1-13H,14-15H2
InChIKeyAIEPGNMHSHJHNF-UHFFFAOYSA-N
XLogP3.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide (CID 1116108) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide is O=C1c2ccccc2C(=O)N1CN(C(=O)COc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide?
The InChIKey is AIEPGNMHSHJHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c24-16-10-12-17(13-11-16)25(21(27)14-30-18-6-2-1-3-7-18)15-26-22(28)19-8-4-5-9-20(19)23(26)29/h1-13H,14-15H2.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide has a molecular weight of 404.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 1116108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).