2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride

C18H21Cl2FN2O3 — CID 17293050

IUPAC2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C18H20ClFN2O3.ClH/c1-2-24-16-8-13(7-15(19)18(16)25-11-17(21)23)10-22-9-12-3-5-14(20)6-4-12;/h3-8,22H,2,9-11H2,1H3,(H2,21,23);1H
InChIKeyOLQHURNGDBCUEB-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.45
Rot. Bonds9

About 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride

2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17293050) has the molecular formula C18H21Cl2FN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
PubChem CID17293050
Molecular FormulaC18H21Cl2FN2O3
Molecular Weight403.28 g/mol
Exact Mass402.09
IUPAC Name2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C18H20ClFN2O3.ClH/c1-2-24-16-8-13(7-15(19)18(16)25-11-17(21)23)10-22-9-12-3-5-14(20)6-4-12;/h3-8,22H,2,9-11H2,1H3,(H2,21,23);1H
InChIKeyOLQHURNGDBCUEB-UHFFFAOYSA-N
XLogP3.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17295331
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293006
2-[2-chloro-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17295349
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831
2-[2-chloro-6-ethoxy-4-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 4718653
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17293039
2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol
CID 2200261
2-[2-chloro-6-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 964295
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride (CID 17293050) is 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride is CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is OLQHURNGDBCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3.ClH/c1-2-24-16-8-13(7-15(19)18(16)25-11-17(21)23)10-22-9-12-3-5-14(20)6-4-12;/h3-8,22H,2,9-11H2,1H3,(H2,21,23);1H.
What are the key properties of 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride?
2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 403.28 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17293050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).