N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

C15H17FN2O4 — CID 123350539

IUPACN-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C15H17FN2O4/c1-18-9-12(13(19)15(18)21)14(20)17-7-2-8-22-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,17,20)
InChIKeyVBCDLHKSGKQDOK-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.37
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide

N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 123350539) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID123350539
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2ccc(F)cc2)C(=O)C1=O
InChIInChI=1S/C15H17FN2O4/c1-18-9-12(13(19)15(18)21)14(20)17-7-2-8-22-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,17,20)
InChIKeyVBCDLHKSGKQDOK-UHFFFAOYSA-N
XLogP0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[(1-methyl-4,5-dioxopyrrolidine-3-carbonyl)amino]propoxy]benzoate
CID 123349111
N-[3-(2,6-dichlorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123420914
1-methyl-4,5-dioxo-N-[2-(4-phenoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 123833413
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55607680
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
cis-(1R,3S)-3-[2-(4-fluorophenoxy)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065289
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (CID 123350539) is N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCCOc2ccc(F)cc2)C(=O)C1=O.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is VBCDLHKSGKQDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-18-9-12(13(19)15(18)21)14(20)17-7-2-8-22-11-5-3-10(16)4-6-11/h3-6,12H,2,7-9H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123350539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).