3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide

C20H22ClFN2O — CID 120882030

IUPAC3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C20H22ClFN2O/c1-20(2,11-13-4-3-5-15(21)10-13)19(25)24-17-7-6-14-12-23-9-8-16(14)18(17)22/h3-7,10,23H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyIZTLKUQYLUIHHF-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.33
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide

3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide (PubChem CID 120882030) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide
PubChem CID120882030
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C20H22ClFN2O/c1-20(2,11-13-4-3-5-15(21)10-13)19(25)24-17-7-6-14-12-23-9-8-16(14)18(17)22/h3-7,10,23H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeyIZTLKUQYLUIHHF-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylpropanamide
CID 120883496
2-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 120881626
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 120883039
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883571
2-(1-benzofuran-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883052
3-N-(2,2-dimethylpropyl)-1-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 120883477
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide (CID 120882030) is 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide is CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide?
The InChIKey is IZTLKUQYLUIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-20(2,11-13-4-3-5-15(21)10-13)19(25)24-17-7-6-14-12-23-9-8-16(14)18(17)22/h3-7,10,23H,8-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide?
3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide has a molecular weight of 360.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 120882030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).