[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone

C24H23NO — CID 125474288

IUPAC[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C24H23NO/c26-24(21-14-8-3-9-15-21)23-18-25(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-,23-/m0/s1
InChIKeyPWZDCTKVVSTOKY-GOTSBHOMSA-N
MW341.45 g/mol
LogP4.79
Rot. Bonds5

About [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone

[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone (PubChem CID 125474288) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
PubChem CID125474288
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C24H23NO/c26-24(21-14-8-3-9-15-21)23-18-25(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-,23-/m0/s1
InChIKeyPWZDCTKVVSTOKY-GOTSBHOMSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone (CID 125474288) is [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The InChIKey is PWZDCTKVVSTOKY-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H23NO/c26-24(21-14-8-3-9-15-21)23-18-25(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-,23-/m0/s1.
What are the key properties of [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone has a molecular weight of 341.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 125474288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).