N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide

C19H20Cl2N2O — CID 10270053

IUPACN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H20Cl2N2O/c1-3-19(24)22-18-7-5-4-6-13(18)15-10-23(2)11-16-14(15)8-12(20)9-17(16)21/h4-9,15H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyGKMFOKLSWWWHIM-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.92
Rot. Bonds3

About N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide

N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide (PubChem CID 10270053) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide
PubChem CID10270053
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H20Cl2N2O/c1-3-19(24)22-18-7-5-4-6-13(18)15-10-23(2)11-16-14(15)8-12(20)9-17(16)21/h4-9,15H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyGKMFOKLSWWWHIM-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide?
The IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide (CID 10270053) is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide is CCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21.
What is the InChIKey of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide?
The InChIKey is GKMFOKLSWWWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-3-19(24)22-18-7-5-4-6-13(18)15-10-23(2)11-16-14(15)8-12(20)9-17(16)21/h4-9,15H,3,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide?
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide has a molecular weight of 363.29 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide is sourced from PubChem (CID 10270053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).