1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H21FN2O3 — CID 5197630

IUPAC1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22)
InChIKeyMZSXYHVLCKRZTC-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.61
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 5197630) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID5197630
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22)
InChIKeyMZSXYHVLCKRZTC-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 5197630) is 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MZSXYHVLCKRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-13-5-3-12(4-6-13)11-20-15(7-8-16(20)21)17(22)19-10-14-2-1-9-23-14/h3-6,14-15H,1-2,7-11H2,(H,19,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5197630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).