2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide

C19H17FN2O3 — CID 110443030

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-19(2,12-7-9-13(20)10-8-12)21-16(23)11-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyKQDKKDFGVYYIPP-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide (PubChem CID 110443030) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
PubChem CID110443030
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-19(2,12-7-9-13(20)10-8-12)21-16(23)11-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyKQDKKDFGVYYIPP-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
CID 12678095
2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
N-(tert-butylcarbamothioyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188920
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-[1-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135586
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide (CID 110443030) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide is CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is KQDKKDFGVYYIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-19(2,12-7-9-13(20)10-8-12)21-16(23)11-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 340.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 110443030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).