2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

C15H21FN2O2 — CID 50746957

IUPAC2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-10-4-8-17-15(19)18-9-3-7-14(18)12-5-2-6-13(16)11-12/h2,5-6,11,14H,3-4,7-10H2,1H3,(H,17,19)
InChIKeyJXRJVWTXNAIDPQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (PubChem CID 50746957) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
PubChem CID50746957
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-10-4-8-17-15(19)18-9-3-7-14(18)12-5-2-6-13(16)11-12/h2,5-6,11,14H,3-4,7-10H2,1H3,(H,17,19)
InChIKeyJXRJVWTXNAIDPQ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (CID 50746957) is 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is COCCCNC(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is JXRJVWTXNAIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-10-4-8-17-15(19)18-9-3-7-14(18)12-5-2-6-13(16)11-12/h2,5-6,11,14H,3-4,7-10H2,1H3,(H,17,19).
What are the key properties of 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).