2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride

C19H21Cl2FN2O2 — CID 120882527

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)Nc2ccc3c(c2F)CCNC3)ccc1Cl.Cl
InChIInChI=1S/C19H20ClFN2O2.ClH/c1-11-9-14(4-5-16(11)20)25-12(2)19(24)23-17-6-3-13-10-22-8-7-15(13)18(17)21;/h3-6,9,12,22H,7-8,10H2,1-2H3,(H,23,24);1H
InChIKeyWLORFJSOOPDMJI-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride

2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride (PubChem CID 120882527) has the molecular formula C19H21Cl2FN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
PubChem CID120882527
Molecular FormulaC19H21Cl2FN2O2
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)Nc2ccc3c(c2F)CCNC3)ccc1Cl.Cl
InChIInChI=1S/C19H20ClFN2O2.ClH/c1-11-9-14(4-5-16(11)20)25-12(2)19(24)23-17-6-3-13-10-22-8-7-15(13)18(17)21;/h3-6,9,12,22H,7-8,10H2,1-2H3,(H,23,24);1H
InChIKeyWLORFJSOOPDMJI-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride with MolForge

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120883141
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 120883970
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
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120882354
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
CID 120883116
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
CID 120880934
4-butan-2-yloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882245
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 120883137
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
2-ethylsulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide;hydrochloride
CID 120883917

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride (CID 120882527) is 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride is Cc1cc(OC(C)C(=O)Nc2ccc3c(c2F)CCNC3)ccc1Cl.Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The InChIKey is WLORFJSOOPDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2.ClH/c1-11-9-14(4-5-16(11)20)25-12(2)19(24)23-17-6-3-13-10-22-8-7-15(13)18(17)21;/h3-6,9,12,22H,7-8,10H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride has a molecular weight of 399.29 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 120882527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).