N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide

C20H23F2N2O3+ — CID 7646837

IUPACN-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)[C@@H](C)[NH+](CC(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C20H22F2N2O3/c1-12-15-10-19(27-3)18(26-2)8-13(15)6-7-24(12)11-20(25)23-17-5-4-14(21)9-16(17)22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,25)/p+1/t12-/m1/s1
InChIKeyCIGDKUXWTJJOBK-GFCCVEGCSA-O
MW377.41 g/mol
LogP2.12
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide

N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide (PubChem CID 7646837) has the molecular formula C20H23F2N2O3+ and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide
PubChem CID7646837
Molecular FormulaC20H23F2N2O3+
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)[C@@H](C)[NH+](CC(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C20H22F2N2O3/c1-12-15-10-19(27-3)18(26-2)8-13(15)6-7-24(12)11-20(25)23-17-5-4-14(21)9-16(17)22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,25)/p+1/t12-/m1/s1
InChIKeyCIGDKUXWTJJOBK-GFCCVEGCSA-O
XLogP2.12
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide
CID 7097141
methyl 2-[(1S)-2-[2-(4-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetate
CID 9250941
methyl 2-[(1S)-2-[2-(3-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetate
CID 9250978
methyl 2-[(1R)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetate
CID 9250960
2-[(7S)-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-ium-8-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7678053
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
N-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
N-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide (CID 7646837) is N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide is COc1cc2c(cc1OC)[C@@H](C)[NH+](CC(=O)Nc1ccc(F)cc1F)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide?
The InChIKey is CIGDKUXWTJJOBK-GFCCVEGCSA-O. The full InChI is InChI=1S/C20H22F2N2O3/c1-12-15-10-19(27-3)18(26-2)8-13(15)6-7-24(12)11-20(25)23-17-5-4-14(21)9-16(17)22/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,25)/p+1/t12-/m1/s1.
What are the key properties of N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide?
N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide is sourced from PubChem (CID 7646837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).