2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride

C18H21Cl2N2O4- — CID 21233351

IUPAC2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
SMILESCOc1cc(CNCC(O)c2ccccc2)cc(Cl)c1OCC(N)=O.[Cl-]
InChIInChI=1S/C18H21ClN2O4.ClH/c1-24-16-8-12(7-14(19)18(16)25-11-17(20)23)9-21-10-15(22)13-5-3-2-4-6-13;/h2-8,15,21-22H,9-11H2,1H3,(H2,20,23);1H/p-1
InChIKeyZCRBUIFUVSKKPE-UHFFFAOYSA-M
MW400.28 g/mol
LogP-0.96
Rot. Bonds9

About 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride

2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride (PubChem CID 21233351) has the molecular formula C18H21Cl2N2O4- and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride.

Molecular Properties

Compound Name2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
PubChem CID21233351
Molecular FormulaC18H21Cl2N2O4-
Molecular Weight400.28 g/mol
Exact Mass399.09
IUPAC Name2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
SMILESCOc1cc(CNCC(O)c2ccccc2)cc(Cl)c1OCC(N)=O.[Cl-]
InChIInChI=1S/C18H21ClN2O4.ClH/c1-24-16-8-12(7-14(19)18(16)25-11-17(20)23)9-21-10-15(22)13-5-3-2-4-6-13;/h2-8,15,21-22H,9-11H2,1H3,(H2,20,23);1H/p-1
InChIKeyZCRBUIFUVSKKPE-UHFFFAOYSA-M
XLogP-0.96
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride?
The IUPAC name of 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride (CID 21233351) is 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride.
What is the SMILES notation for 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride?
The canonical SMILES for 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride is COc1cc(CNCC(O)c2ccccc2)cc(Cl)c1OCC(N)=O.[Cl-].
What is the InChIKey of 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride?
The InChIKey is ZCRBUIFUVSKKPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21ClN2O4.ClH/c1-24-16-8-12(7-14(19)18(16)25-11-17(20)23)9-21-10-15(22)13-5-3-2-4-6-13;/h2-8,15,21-22H,9-11H2,1H3,(H2,20,23);1H/p-1.
What are the key properties of 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride?
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride has a molecular weight of 400.28 g/mol, XLogP of -0.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride is sourced from PubChem (CID 21233351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).