N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C18H19ClN2O — CID 882041

IUPACN-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-16-6-3-7-17(12-16)20-18(22)9-11-21-10-8-14-4-1-2-5-15(14)13-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyJLNSLLGNIUAVRJ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.73
Rot. Bonds4

About N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 882041) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID882041
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESO=C(CCN1CCc2ccccc2C1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-16-6-3-7-17(12-16)20-18(22)9-11-21-10-8-14-4-1-2-5-15(14)13-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyJLNSLLGNIUAVRJ-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 882041) is N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is O=C(CCN1CCc2ccccc2C1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is JLNSLLGNIUAVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-6-3-7-17(12-16)20-18(22)9-11-21-10-8-14-4-1-2-5-15(14)13-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 314.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 882041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).