N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide

C19H19ClN2O2 — CID 16942808

IUPACN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-9-8-15-4-7-18(11-16(15)12-22)21-19(24)10-14-2-5-17(20)6-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24)
InChIKeyQYHMEKDKFLYIBU-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.43
Rot. Bonds3

About N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 16942808) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide
PubChem CID16942808
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C19H19ClN2O2/c1-13(23)22-9-8-15-4-7-18(11-16(15)12-22)21-19(24)10-14-2-5-17(20)6-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24)
InChIKeyQYHMEKDKFLYIBU-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide (CID 16942808) is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide is CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1.
What is the InChIKey of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is QYHMEKDKFLYIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(23)22-9-8-15-4-7-18(11-16(15)12-22)21-19(24)10-14-2-5-17(20)6-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24).
What are the key properties of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide?
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16942808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).