N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide

C16H19FN2O3 — CID 91528004

IUPACN-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)CCCc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C16H19FN2O3/c1-18(9-3-4-11-5-7-12(17)8-6-11)15(21)13-10-19(2)16(22)14(13)20/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeySGWUIANFUIIARF-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.87
Rot. Bonds5

About N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide

N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 91528004) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID91528004
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)CCCc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C16H19FN2O3/c1-18(9-3-4-11-5-7-12(17)8-6-11)15(21)13-10-19(2)16(22)14(13)20/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeySGWUIANFUIIARF-UHFFFAOYSA-N
XLogP0.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide (CID 91528004) is N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)CCCc2ccc(F)cc2)C(=O)C1=O.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is SGWUIANFUIIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18(9-3-4-11-5-7-12(17)8-6-11)15(21)13-10-19(2)16(22)14(13)20/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide?
N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-N,1-dimethyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91528004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).