(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone

C18H18ClNO — CID 1477310

IUPAC(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
SMILESCN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyGWFPZNWTHIITBJ-DLBZAZTESA-N
MW299.80 g/mol
LogP3.87
Rot. Bonds3

About (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone

(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone (PubChem CID 1477310) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
PubChem CID1477310
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
SMILESCN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyGWFPZNWTHIITBJ-DLBZAZTESA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone (CID 1477310) is (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone is CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The InChIKey is GWFPZNWTHIITBJ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18ClNO/c1-20-11-16(13-5-3-2-4-6-13)17(12-20)18(21)14-7-9-15(19)10-8-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
(4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone has a molecular weight of 299.80 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 1477310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).