2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

C13H20Cl2N2O2 — CID 119504547

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)COc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-3-15-6-7-16-13(17)9-18-12-5-4-11(14)8-10(12)2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyBLQJCFYFSJHFLZ-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.17
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (PubChem CID 119504547) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
PubChem CID119504547
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)COc1ccc(Cl)cc1C.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-3-15-6-7-16-13(17)9-18-12-5-4-11(14)8-10(12)2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyBLQJCFYFSJHFLZ-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (CID 119504547) is 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is CCNCCNC(=O)COc1ccc(Cl)cc1C.Cl.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is BLQJCFYFSJHFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-3-15-6-7-16-13(17)9-18-12-5-4-11(14)8-10(12)2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119504547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).