(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone

C15H20ClNO2 — CID 82552813

IUPAC(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1c(C(=O)C2CCCN2)cc(Cl)cc1C(C)C
InChIInChI=1S/C15H20ClNO2/c1-9(2)11-7-10(16)8-12(15(11)19-3)14(18)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3
InChIKeyRFMDGDSMJGQXEV-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.41
Rot. Bonds4

About (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone

(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82552813) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82552813
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1c(C(=O)C2CCCN2)cc(Cl)cc1C(C)C
InChIInChI=1S/C15H20ClNO2/c1-9(2)11-7-10(16)8-12(15(11)19-3)14(18)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3
InChIKeyRFMDGDSMJGQXEV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-methoxy-3-propan-2-ylphenyl)-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

(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
CID 82552814
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone (CID 82552813) is (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone is COc1c(C(=O)C2CCCN2)cc(Cl)cc1C(C)C.
What is the InChIKey of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is RFMDGDSMJGQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9(2)11-7-10(16)8-12(15(11)19-3)14(18)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3.
What are the key properties of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone?
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 281.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82552813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).