(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide

C15H21FN2O2 — CID 72841194

IUPAC(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@]1(C)O
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-15(11,2)20)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6,11,20H,7-10H2,1-2H3,(H,17,19)/t11-,15+/m1/s1
InChIKeyAVIBHUZKCHEGPP-ABAIWWIYSA-N
MW280.34 g/mol
LogP1.78
Rot. Bonds3

About (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide

(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 72841194) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
PubChem CID72841194
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@]1(C)O
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-15(11,2)20)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6,11,20H,7-10H2,1-2H3,(H,17,19)/t11-,15+/m1/s1
InChIKeyAVIBHUZKCHEGPP-ABAIWWIYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide (CID 72841194) is (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide is C[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is AVIBHUZKCHEGPP-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-9-18(10-15(11,2)20)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6,11,20H,7-10H2,1-2H3,(H,17,19)/t11-,15+/m1/s1.
What are the key properties of (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
(3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[2-(2-fluorophenyl)ethyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72841194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).