N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H24Cl2N2O2 — CID 119748101

IUPACN-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12-10-13(17)5-6-15(12)21-9-3-8-19-16(20)11-14-4-2-7-18-14;/h5-6,10,14,18H,2-4,7-9,11H2,1H3,(H,19,20);1H
InChIKeyWNVZRVZMOYKEMV-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.10
Rot. Bonds7

About N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119748101) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119748101
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC NameN-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12-10-13(17)5-6-15(12)21-9-3-8-19-16(20)11-14-4-2-7-18-14;/h5-6,10,14,18H,2-4,7-9,11H2,1H3,(H,19,20);1H
InChIKeyWNVZRVZMOYKEMV-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119748089
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119780508
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119748101) is N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1cc(Cl)ccc1OCCCNC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is WNVZRVZMOYKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-12-10-13(17)5-6-15(12)21-9-3-8-19-16(20)11-14-4-2-7-18-14;/h5-6,10,14,18H,2-4,7-9,11H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119748101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).