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

C19H17FN2O4 — CID 123328566

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C(=O)C1=O
InChIInChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyHGOLRFHXFVNEMW-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.89
Rot. Bonds5

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

N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 123328566) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID123328566
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C(=O)C1=O
InChIInChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,16H,10-11H2,1H3,(H,21,24)
InChIKeyHGOLRFHXFVNEMW-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123350539
1-methyl-4,5-dioxo-N-[2-(4-phenoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 123833413
N-[(4-benzoylphenyl)methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123251727
N-[[4-(4-fluorophenoxy)phenyl]methyl]oxirane-2-carboxamide
CID 154880178
1-methyl-4,5-dioxo-N-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 123165000
N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123724704
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403
N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 127263481
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide (CID 123328566) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C(=O)C1=O.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is HGOLRFHXFVNEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-22-11-16(17(23)19(22)25)18(24)21-10-12-2-6-14(7-3-12)26-15-8-4-13(20)5-9-15/h2-9,16H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123328566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).