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

C17H17ClN2O — CID 5100540

IUPACN-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O/c18-14-7-3-4-8-15(14)20-17(21)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyABJDZBPTRZYDHL-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.56
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 5100540) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID5100540
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESO=C(CC1NCCc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O/c18-14-7-3-4-8-15(14)20-17(21)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyABJDZBPTRZYDHL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509751
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 82086263
N-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509749
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 82089589
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348624
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 5100540) is N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is O=C(CC1NCCc2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is ABJDZBPTRZYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-7-3-4-8-15(14)20-17(21)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(2-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-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 5100540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).