4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide

C23H18FN3O3 — CID 155552642

IUPAC4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H18FN3O3/c24-18-9-4-8-17-21(18)23(30)27(22(17)29)13-5-10-20(28)26-19-12-11-16(14-25-19)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,25,26,28)
InChIKeySTBYKHVWYMJRTI-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.90
Rot. Bonds6

About 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide

4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 155552642) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
PubChem CID155552642
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H18FN3O3/c24-18-9-4-8-17-21(18)23(30)27(22(17)29)13-5-10-20(28)26-19-12-11-16(14-25-19)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,25,26,28)
InChIKeySTBYKHVWYMJRTI-UHFFFAOYSA-N
XLogP3.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
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 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (CID 155552642) is 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is O=C(CCCN1C(=O)c2cccc(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The InChIKey is STBYKHVWYMJRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-18-9-4-8-17-21(18)23(30)27(22(17)29)13-5-10-20(28)26-19-12-11-16(14-25-19)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,25,26,28).
What are the key properties of 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 403.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 155552642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).