(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone

C18H17Cl2NO2 — CID 43048100

IUPAC(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCOc1c(Cl)cc(C(=O)N2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO2/c1-23-17-14(19)10-13(11-15(17)20)18(22)21-9-5-8-16(21)12-6-3-2-4-7-12/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyIJKAMGSUQCJXSH-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.98
Rot. Bonds3

About (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone

(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 43048100) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID43048100
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCOc1c(Cl)cc(C(=O)N2CCCC2c2ccccc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO2/c1-23-17-14(19)10-13(11-15(17)20)18(22)21-9-5-8-16(21)12-6-3-2-4-7-12/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyIJKAMGSUQCJXSH-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-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

Related Compounds

(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
(3,5-dichloro-4-methoxyphenyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone
CID 24513446
(2S)-1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61136443
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 24658230
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 43048100) is (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone is COc1c(Cl)cc(C(=O)N2CCCC2c2ccccc2)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is IJKAMGSUQCJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-23-17-14(19)10-13(11-15(17)20)18(22)21-9-5-8-16(21)12-6-3-2-4-7-12/h2-4,6-7,10-11,16H,5,8-9H2,1H3.
What are the key properties of (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 350.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43048100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).