(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide

C21H25FN2O2 — CID 164639255

IUPAC(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@@]1(CCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c22-19-8-6-17(7-9-19)14-23-20(26)21(11-13-25)10-12-24(16-21)15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26)/t21-/m1/s1
InChIKeyRLWWGXGLVWRUFK-OAQYLSRUSA-N
MW356.44 g/mol
LogP2.72
Rot. Bonds7

About (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide (PubChem CID 164639255) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide
PubChem CID164639255
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@@]1(CCO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c22-19-8-6-17(7-9-19)14-23-20(26)21(11-13-25)10-12-24(16-21)15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26)/t21-/m1/s1
InChIKeyRLWWGXGLVWRUFK-OAQYLSRUSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide (CID 164639255) is (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@@]1(CCO)CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is RLWWGXGLVWRUFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-8-6-17(7-9-19)14-23-20(26)21(11-13-25)10-12-24(16-21)15-18-4-2-1-3-5-18/h1-9,25H,10-16H2,(H,23,26)/t21-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164639255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).