2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride

C11H16Cl2N2O3 — CID 17053988

IUPAC2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(Cl)cc1CNCCO
InChIInChI=1S/C11H15ClN2O3.ClH/c12-9-1-2-10(17-7-11(13)16)8(5-9)6-14-3-4-15;/h1-2,5,14-15H,3-4,6-7H2,(H2,13,16);1H
InChIKeyJRUHRYVWDBURIJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP0.71
Rot. Bonds7

About 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride

2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17053988) has the molecular formula C11H16Cl2N2O3 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17053988
Molecular FormulaC11H16Cl2N2O3
Molecular Weight295.17 g/mol
Exact Mass294.05
IUPAC Name2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(Cl)cc1CNCCO
InChIInChI=1S/C11H15ClN2O3.ClH/c12-9-1-2-10(17-7-11(13)16)8(5-9)6-14-3-4-15;/h1-2,5,14-15H,3-4,6-7H2,(H2,13,16);1H
InChIKeyJRUHRYVWDBURIJ-UHFFFAOYSA-N
XLogP0.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride 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

2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17054047
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17053988) is 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride is Cl.NC(=O)COc1ccc(Cl)cc1CNCCO.
What is the InChIKey of 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is JRUHRYVWDBURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3.ClH/c12-9-1-2-10(17-7-11(13)16)8(5-9)6-14-3-4-15;/h1-2,5,14-15H,3-4,6-7H2,(H2,13,16);1H.
What are the key properties of 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 295.17 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).