N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C17H17ClN2O — CID 3778533

IUPACN-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-13-5-7-14(8-6-13)20-17(21)11-16-15-4-2-1-3-12(15)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyLNEIJTZTANOBNB-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.56
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 3778533) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID3778533
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-13-5-7-14(8-6-13)20-17(21)11-16-15-4-2-1-3-12(15)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyLNEIJTZTANOBNB-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 3778533) is N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is O=C(CC1NCCc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is LNEIJTZTANOBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-13-5-7-14(8-6-13)20-17(21)11-16-15-4-2-1-3-12(15)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 300.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 3778533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).