N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide

C23H15F3N2O4 — CID 1159356

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H15F3N2O4/c24-23(25,26)22(31)27(14-28-20(29)18-8-4-5-9-19(18)21(28)30)15-10-12-17(13-11-15)32-16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyAJGKLSQAMDYZNJ-UHFFFAOYSA-N
MW440.38 g/mol
LogP4.63
Rot. Bonds5

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

N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide (PubChem CID 1159356) has the molecular formula C23H15F3N2O4 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
PubChem CID1159356
Molecular FormulaC23H15F3N2O4
Molecular Weight440.38 g/mol
Exact Mass440.10
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H15F3N2O4/c24-23(25,26)22(31)27(14-28-20(29)18-8-4-5-9-19(18)21(28)30)15-10-12-17(13-11-15)32-16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyAJGKLSQAMDYZNJ-UHFFFAOYSA-N
XLogP4.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.63
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]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide (CID 1159356) is N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide is O=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide?
The InChIKey is AJGKLSQAMDYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O4/c24-23(25,26)22(31)27(14-28-20(29)18-8-4-5-9-19(18)21(28)30)15-10-12-17(13-11-15)32-16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide has a molecular weight of 440.38 g/mol, XLogP of 4.63, 5 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]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1159356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).