N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride

C19H22Cl2N2O — CID 155978271

IUPACN-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc2c(c1)CCN(CCc1cccc(Cl)c1)C2.Cl
InChIInChI=1S/C19H21ClN2O.ClH/c1-14(23)21-19-6-5-17-13-22(10-8-16(17)12-19)9-7-15-3-2-4-18(20)11-15;/h2-6,11-12H,7-10,13H2,1H3,(H,21,23);1H
InChIKeyFFCBABSISGYEJP-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.32
Rot. Bonds4

About N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride

N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride (PubChem CID 155978271) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride
PubChem CID155978271
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC NameN-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc2c(c1)CCN(CCc1cccc(Cl)c1)C2.Cl
InChIInChI=1S/C19H21ClN2O.ClH/c1-14(23)21-19-6-5-17-13-22(10-8-16(17)12-19)9-7-15-3-2-4-18(20)11-15;/h2-6,11-12H,7-10,13H2,1H3,(H,21,23);1H
InChIKeyFFCBABSISGYEJP-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
CID 110443867
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
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N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 42428482
N-[[4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]acetamide
CID 166719135
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
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4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623667
1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
CID 69174075
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride (CID 155978271) is N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride is CC(=O)Nc1ccc2c(c1)CCN(CCc1cccc(Cl)c1)C2.Cl.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride?
The InChIKey is FFCBABSISGYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O.ClH/c1-14(23)21-19-6-5-17-13-22(10-8-16(17)12-19)9-7-15-3-2-4-18(20)11-15;/h2-6,11-12H,7-10,13H2,1H3,(H,21,23);1H.
What are the key properties of N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride?
N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride has a molecular weight of 365.30 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;hydrochloride is sourced from PubChem (CID 155978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).