N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 119695349

IUPACN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(6-7-17-11-15)14(19)18(2)8-9-20-13-5-3-4-12(16)10-13;/h3-5,10,17H,6-9,11H2,1-2H3;1H
InChIKeyCJOGLWDAEMGKQZ-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride

N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119695349) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119695349
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(6-7-17-11-15)14(19)18(2)8-9-20-13-5-3-4-12(16)10-13;/h3-5,10,17H,6-9,11H2,1-2H3;1H
InChIKeyCJOGLWDAEMGKQZ-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylpiperidine-3-carboxamide
CID 119943919
N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63122202
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride (CID 119695349) is N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride is CN(CCOc1cccc(Cl)c1)C(=O)C1(C)CCNC1.Cl.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is CJOGLWDAEMGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-15(6-7-17-11-15)14(19)18(2)8-9-20-13-5-3-4-12(16)10-13;/h3-5,10,17H,6-9,11H2,1-2H3;1H.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride?
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119695349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).