N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride

C20H24ClFN2O2 — CID 120882209

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-13(14-4-3-5-16(11-14)25-2)10-19(24)23-18-7-6-15-12-22-9-8-17(15)20(18)21;/h3-7,11,13,22H,8-10,12H2,1-2H3,(H,23,24);1H
InChIKeyDEUKWGRQRSLRCI-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.03
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride (PubChem CID 120882209) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
PubChem CID120882209
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1cccc(C(C)CC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-13(14-4-3-5-16(11-14)25-2)10-19(24)23-18-7-6-15-12-22-9-8-17(15)20(18)21;/h3-7,11,13,22H,8-10,12H2,1-2H3,(H,23,24);1H
InChIKeyDEUKWGRQRSLRCI-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide
CID 120881932
3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 120881854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenyl)propanamide;hydrochloride
CID 120883861
4,4,4-trifluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-phenylbutanamide;hydrochloride
CID 120881849
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 120883137
3-(3,4-dimethoxyphenyl)sulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881001
2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883571
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride (CID 120882209) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride is COc1cccc(C(C)CC(=O)Nc2ccc3c(c2F)CCNC3)c1.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is DEUKWGRQRSLRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-13(14-4-3-5-16(11-14)25-2)10-19(24)23-18-7-6-15-12-22-9-8-17(15)20(18)21;/h3-7,11,13,22H,8-10,12H2,1-2H3,(H,23,24);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120882209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).