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

C23H17F2N3O3 — CID 155538903

IUPAC4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccc(F)c(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H17F2N3O3/c24-17-10-9-16-20(21(17)25)23(31)28(22(16)30)12-4-7-19(29)27-18-11-8-15(13-26-18)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,26,27,29)
InChIKeyZEBAQOIAMFYYQC-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.04
Rot. Bonds6

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

4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 155538903) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
PubChem CID155538903
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccc(F)c(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C23H17F2N3O3/c24-17-10-9-16-20(21(17)25)23(31)28(22(16)30)12-4-7-19(29)27-18-11-8-15(13-26-18)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,26,27,29)
InChIKeyZEBAQOIAMFYYQC-UHFFFAOYSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.04
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-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide (CID 155538903) is 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is O=C(CCCN1C(=O)c2ccc(F)c(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
The InChIKey is ZEBAQOIAMFYYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c24-17-10-9-16-20(21(17)25)23(31)28(22(16)30)12-4-7-19(29)27-18-11-8-15(13-26-18)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,26,27,29).
What are the key properties of 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide?
4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 421.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-difluoro-1,3-dioxoisoindol-2-yl)-N-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 155538903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).