1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone

C13H16ClNO2 — CID 116560958

IUPAC1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
SMILESCOc1cc(C(=O)CC2CCCN2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-13-7-9(4-5-11(13)14)12(16)8-10-3-2-6-15-10/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyIFNHVHNWSLBHMR-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone

1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 116560958) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
PubChem CID116560958
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
SMILESCOc1cc(C(=O)CC2CCCN2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-13-7-9(4-5-11(13)14)12(16)8-10-3-2-6-15-10/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyIFNHVHNWSLBHMR-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone 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

1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562355
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(4-chloro-3-methoxyphenyl)-2-[(2S,5R)-3,4-dichloro-5-hydroxy-2,5-dihydrofuran-2-yl]ethanone
CID 7121921
methyl 3-chloro-5-methoxy-4-(pyrrolidin-2-ylmethoxy)benzoate
CID 117053306
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone (CID 116560958) is 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone is COc1cc(C(=O)CC2CCCN2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is IFNHVHNWSLBHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-13-7-9(4-5-11(13)14)12(16)8-10-3-2-6-15-10/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone?
1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 253.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116560958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).