2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride

C19H22Cl2N2O2 — CID 57467200

IUPAC2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
InChIInChI=1S/C19H21ClN2O2.ClH/c20-14-5-1-12(2-6-14)9-17-16-10-15(24-11-19(22)23)7-3-13(16)4-8-18(17)21;/h1-3,5-7,10,17-18H,4,8-9,11,21H2,(H2,22,23);1H
InChIKeyIJYGPPLFYDHBMU-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.23
Rot. Bonds5

About 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride

2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride (PubChem CID 57467200) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
PubChem CID57467200
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
InChIInChI=1S/C19H21ClN2O2.ClH/c20-14-5-1-12(2-6-14)9-17-16-10-15(24-11-19(22)23)7-3-13(16)4-8-18(17)21;/h1-3,5-7,10,17-18H,4,8-9,11,21H2,(H2,22,23);1H
InChIKeyIJYGPPLFYDHBMU-UHFFFAOYSA-N
XLogP3.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride?
The IUPAC name of 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride (CID 57467200) is 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride?
The canonical SMILES for 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride is Cl.NC(=O)COc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2.
What is the InChIKey of 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride?
The InChIKey is IJYGPPLFYDHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c20-14-5-1-12(2-6-14)9-17-16-10-15(24-11-19(22)23)7-3-13(16)4-8-18(17)21;/h1-3,5-7,10,17-18H,4,8-9,11,21H2,(H2,22,23);1H.
What are the key properties of 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride?
2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride is sourced from PubChem (CID 57467200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).