(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H15Cl2NO2 — CID 110866902

IUPAC(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-10-3-2-6-16(10)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyLNRUGANCEYSKJI-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.24
Rot. Bonds3

About (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 110866902) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID110866902
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-10-3-2-6-16(10)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyLNRUGANCEYSKJI-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-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

(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22143587
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 110866902) is (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LNRUGANCEYSKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-8-10-3-2-6-16(10)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 288.17 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110866902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).