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

C21H24Cl2N2O — CID 10157250

IUPACN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C(C)(C)C)C1
InChIInChI=1S/C21H24Cl2N2O/c1-21(2,3)20(26)24-19-8-6-5-7-14(19)16-11-25(4)12-17-15(16)9-13(22)10-18(17)23/h5-10,16H,11-12H2,1-4H3,(H,24,26)
InChIKeyGODVYEGZXKHRSC-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.56
Rot. Bonds2

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

N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 10157250) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID10157250
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C(C)(C)C)C1
InChIInChI=1S/C21H24Cl2N2O/c1-21(2,3)20(26)24-19-8-6-5-7-14(19)16-11-25(4)12-17-15(16)9-13(22)10-18(17)23/h5-10,16H,11-12H2,1-4H3,(H,24,26)
InChIKeyGODVYEGZXKHRSC-UHFFFAOYSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

Gastrofenzin
CID 146094
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
CID 46229969
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2107332
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N-phenyl-propionamide
CID 11233617
N-[(2,4-dichlorophenyl)methyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 16287819
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 38106183
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 44416201
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(4-chloro-2-methylphenyl)-2-methylpropan-1-one
CID 44416213
(E)-3-(2-chlorophenyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)prop-2-enamide;hydrochloride
CID 44533437
N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)cyclopropanecarboxamide
CID 46229866
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 109035013

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide (CID 10157250) is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is GODVYEGZXKHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-21(2,3)20(26)24-19-8-6-5-7-14(19)16-11-25(4)12-17-15(16)9-13(22)10-18(17)23/h5-10,16H,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide?
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 391.34 g/mol, XLogP of 5.56, 2 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 10157250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).