N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C20H22F2N2O4 — CID 8760808

IUPACN-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(OC(F)F)cc1)CC2
InChIInChI=1S/C20H22F2N2O4/c1-26-17-9-13-7-8-24(11-14(13)10-18(17)27-2)12-19(25)23-15-3-5-16(6-4-15)28-20(21)22/h3-6,9-10,20H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyXREIMBOKIZOTER-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 8760808) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID8760808
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(OC(F)F)cc1)CC2
InChIInChI=1S/C20H22F2N2O4/c1-26-17-9-13-7-8-24(11-14(13)10-18(17)27-2)12-19(25)23-15-3-5-16(6-4-15)28-20(21)22/h3-6,9-10,20H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyXREIMBOKIZOTER-UHFFFAOYSA-N
XLogP3.30
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate
CID 8760683
4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-diethylbenzamide
CID 4893522
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 8760808) is N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(OC(F)F)cc1)CC2.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is XREIMBOKIZOTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-26-17-9-13-7-8-24(11-14(13)10-18(17)27-2)12-19(25)23-15-3-5-16(6-4-15)28-20(21)22/h3-6,9-10,20H,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 392.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 8760808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).