(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone

C15H20ClNO2 — CID 82553125

IUPAC(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1
InChIInChI=1S/C15H20ClNO2/c1-4-19-12-8-9(2)14(16)10(3)13(12)15(18)11-6-5-7-17-11/h8,11,17H,4-7H2,1-3H3
InChIKeyIRFCYOMLVICBAI-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.29
Rot. Bonds4

About (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone

(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82553125) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82553125
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1
InChIInChI=1S/C15H20ClNO2/c1-4-19-12-8-9(2)14(16)10(3)13(12)15(18)11-6-5-7-17-11/h8,11,17H,4-7H2,1-3H3
InChIKeyIRFCYOMLVICBAI-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone 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-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82553105
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82553649

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone (CID 82553125) is (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone is CCOc1cc(C)c(Cl)c(C)c1C(=O)C1CCCN1.
What is the InChIKey of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is IRFCYOMLVICBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-19-12-8-9(2)14(16)10(3)13(12)15(18)11-6-5-7-17-11/h8,11,17H,4-7H2,1-3H3.
What are the key properties of (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone?
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 281.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82553125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).