4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide

C22H22FN3O3 — CID 110361837

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C22H22FN3O3/c23-18-10-9-15(25-11-3-4-12-25)14-19(18)24-20(27)8-5-13-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-2,6-7,9-10,14H,3-5,8,11-13H2,(H,24,27)
InChIKeyOFPMALAASJNJLF-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.44
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 110361837) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
PubChem CID110361837
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C22H22FN3O3/c23-18-10-9-15(25-11-3-4-12-25)14-19(18)24-20(27)8-5-13-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-2,6-7,9-10,14H,3-5,8,11-13H2,(H,24,27)
InChIKeyOFPMALAASJNJLF-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.44
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-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide (CID 110361837) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(N2CCCC2)ccc1F.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is OFPMALAASJNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-10-9-15(25-11-3-4-12-25)14-19(18)24-20(27)8-5-13-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-2,6-7,9-10,14H,3-5,8,11-13H2,(H,24,27).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 395.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 110361837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).