N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide

C20H22Cl2N2O — CID 2860054

IUPACN-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide
SMILESCN1C(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C
InChIInChI=1S/C20H22Cl2N2O/c1-20(2)12-13-6-4-5-7-15(13)18(24(20)3)11-19(25)23-17-9-8-14(21)10-16(17)22/h4-10,18H,11-12H2,1-3H3,(H,23,25)
InChIKeyKYSHZPJVXBNION-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.33
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide

N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide (PubChem CID 2860054) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide
PubChem CID2860054
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide
SMILESCN1C(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C
InChIInChI=1S/C20H22Cl2N2O/c1-20(2)12-13-6-4-5-7-15(13)18(24(20)3)11-19(25)23-17-9-8-14(21)10-16(17)22/h4-10,18H,11-12H2,1-3H3,(H,23,25)
InChIKeyKYSHZPJVXBNION-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 134049097
N-(5-chloro-2-pyridinyl)-2-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 943818
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-2-(4,4-dimethylcyclohexyl)sulfonylacetamide
CID 154754123
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
methyl 2-[2-(2,4-dichloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 84830532
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide (CID 2860054) is N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide is CN1C(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2CC1(C)C.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide?
The InChIKey is KYSHZPJVXBNION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-20(2)12-13-6-4-5-7-15(13)18(24(20)3)11-19(25)23-17-9-8-14(21)10-16(17)22/h4-10,18H,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide has a molecular weight of 377.32 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 2860054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).