2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

C19H20ClNO — CID 50747369

IUPAC2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1cccc(C2CCCN2C(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO/c1-14-6-4-8-16(12-14)18-10-5-11-21(18)19(22)13-15-7-2-3-9-17(15)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3
InChIKeyOMHXPPVYWWIENB-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.55
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747369) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747369
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1cccc(C2CCCN2C(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO/c1-14-6-4-8-16(12-14)18-10-5-11-21(18)19(22)13-15-7-2-3-9-17(15)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3
InChIKeyOMHXPPVYWWIENB-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone 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

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
Spiro-carboxamide scaffold, 9
CID 44143295
2-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 2902535
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
(4-Benzylpiperidin-1-yl)(2-chlorophenyl)methanone
CID 667590
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939
2-(3,4-Dichloro-phenyl)-N-methyl-N-((R)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 14804469
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
2-(2,6-dichlorophenyl)-1-[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 132016545

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747369) is 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1cccc(C2CCCN2C(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OMHXPPVYWWIENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14-6-4-8-16(12-14)18-10-5-11-21(18)19(22)13-15-7-2-3-9-17(15)20/h2-4,6-9,12,18H,5,10-11,13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 313.83 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).