(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone

C15H19Cl2NO — CID 82891047

IUPAC(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCCC1CCCCl
InChIInChI=1S/C15H19Cl2NO/c1-11-6-7-12(17)10-14(11)15(19)18-9-3-5-13(18)4-2-8-16/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyKAFFTCQNHYHCRB-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.27
Rot. Bonds4

About (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone

(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone (PubChem CID 82891047) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
PubChem CID82891047
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCCC1CCCCl
InChIInChI=1S/C15H19Cl2NO/c1-11-6-7-12(17)10-14(11)15(19)18-9-3-5-13(18)4-2-8-16/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyKAFFTCQNHYHCRB-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)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

(5-chloro-2-nitrophenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 63395892
(4-chloro-3-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 113397336
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 63396449
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956210
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66472291
[2-(3-chloropropyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299551
(2-bromo-4-chlorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932949
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100163
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107965902
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
(4-tert-butylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 63396240
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone (CID 82891047) is (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone is Cc1ccc(Cl)cc1C(=O)N1CCCC1CCCCl.
What is the InChIKey of (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone?
The InChIKey is KAFFTCQNHYHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-11-6-7-12(17)10-14(11)15(19)18-9-3-5-13(18)4-2-8-16/h6-7,10,13H,2-5,8-9H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone?
(5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone has a molecular weight of 300.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 82891047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).