[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone

C24H21NO2 — CID 1481130

IUPAC[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C24H21NO2/c26-23(18-10-4-1-5-11-18)21-16-25(20-14-8-3-9-15-20)17-22(21)24(27)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
InChIKeyZXHHEFRILZNCTP-FGZHOGPDSA-N
MW355.44 g/mol
LogP4.50
Rot. Bonds5

About [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone

[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone (PubChem CID 1481130) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
PubChem CID1481130
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C24H21NO2/c26-23(18-10-4-1-5-11-18)21-16-25(20-14-8-3-9-15-20)17-22(21)24(27)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
InChIKeyZXHHEFRILZNCTP-FGZHOGPDSA-N
XLogP4.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R,4R)-4-(4-methylbenzoyl)-1-phenylpyrrolidine-3-carboxylate
CID 1484818
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
(4-fluorophenyl)-[(3S,4R)-4-(4-methylphenyl)-1-phenylpyrrolidin-3-yl]methanone
CID 1481125
[(3R,4S)-4-(4-chlorophenyl)-1-phenylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11875067
4-benzoylpyrrolidine-3-carboxylic acid
CID 3573006
formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
CID 142422477
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone (CID 1481130) is [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone?
The InChIKey is ZXHHEFRILZNCTP-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H21NO2/c26-23(18-10-4-1-5-11-18)21-16-25(20-14-8-3-9-15-20)17-22(21)24(27)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-/m1/s1.
What are the key properties of [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone?
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone has a molecular weight of 355.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 1481130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).