2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide

C14H19FN2O — CID 50746926

IUPAC2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-9-16-14(18)17-10-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyUYHCUOMNLMPNTI-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.08
Rot. Bonds3

About 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide

2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 50746926) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
PubChem CID50746926
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-9-16-14(18)17-10-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyUYHCUOMNLMPNTI-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide (CID 50746926) is 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is UYHCUOMNLMPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-9-16-14(18)17-10-3-4-13(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 50746926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).