N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide

C20H17FN2O3 — CID 23745245

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H17FN2O3/c1-2-12-22(19(25)15-10-6-7-11-16(15)21)17-13-18(24)23(20(17)26)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyDGMSWOOSQGRXEA-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.79
Rot. Bonds5

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide (PubChem CID 23745245) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
PubChem CID23745245
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H17FN2O3/c1-2-12-22(19(25)15-10-6-7-11-16(15)21)17-13-18(24)23(20(17)26)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyDGMSWOOSQGRXEA-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide (CID 23745245) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide?
The InChIKey is DGMSWOOSQGRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-2-12-22(19(25)15-10-6-7-11-16(15)21)17-13-18(24)23(20(17)26)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2.
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide has a molecular weight of 352.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 23745245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).