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

C17H19Cl2FN2O2 — CID 17054047

IUPAC2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(Cl)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2.ClH/c18-14-3-6-16(23-11-17(20)22)13(9-14)10-21-8-7-12-1-4-15(19)5-2-12;/h1-6,9,21H,7-8,10-11H2,(H2,20,22);1H
InChIKeyBSFDCMJXBFWWIN-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.10
Rot. Bonds8

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

2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17054047) has the molecular formula C17H19Cl2FN2O2 and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
PubChem CID17054047
Molecular FormulaC17H19Cl2FN2O2
Molecular Weight373.26 g/mol
Exact Mass372.08
IUPAC Name2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc(Cl)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2.ClH/c18-14-3-6-16(23-11-17(20)22)13(9-14)10-21-8-7-12-1-4-15(19)5-2-12;/h1-6,9,21H,7-8,10-11H2,(H2,20,22);1H
InChIKeyBSFDCMJXBFWWIN-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
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

N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
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
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716351
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
2-[4-bromo-2-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053803
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720979
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride (CID 17054047) is 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride is Cl.NC(=O)COc1ccc(Cl)cc1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is BSFDCMJXBFWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2.ClH/c18-14-3-6-16(23-11-17(20)22)13(9-14)10-21-8-7-12-1-4-15(19)5-2-12;/h1-6,9,21H,7-8,10-11H2,(H2,20,22);1H.
What are the key properties of 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride?
2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 373.26 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17054047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).