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

C20H24ClFN4O2 — CID 120883039

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C20H23FN4O2.ClH/c1-20(2,25-19(27)23-14-6-4-3-5-7-14)18(26)24-16-9-8-13-12-22-11-10-15(13)17(16)21;/h3-9,22H,10-12H2,1-2H3,(H,24,26)(H2,23,25,27);1H
InChIKeyGYASZMOAMPLCPO-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.43
Rot. Bonds4

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

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride (PubChem CID 120883039) has the molecular formula C20H24ClFN4O2 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
PubChem CID120883039
Molecular FormulaC20H24ClFN4O2
Molecular Weight406.89 g/mol
Exact Mass406.16
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C20H23FN4O2.ClH/c1-20(2,25-19(27)23-14-6-4-3-5-7-14)18(26)24-16-9-8-13-12-22-11-10-15(13)17(16)21;/h3-9,22H,10-12H2,1-2H3,(H,24,26)(H2,23,25,27);1H
InChIKeyGYASZMOAMPLCPO-UHFFFAOYSA-N
XLogP3.43
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

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)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120882547
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
2-(4-ethylphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylpropanamide
CID 120883496
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
3-(3-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,2-dimethylpropanamide
CID 120882030
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)-1-methylcyclopentane-1-carboxamide
CID 120881270
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 120883808
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride (CID 120883039) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride is CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The InChIKey is GYASZMOAMPLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2.ClH/c1-20(2,25-19(27)23-14-6-4-3-5-7-14)18(26)24-16-9-8-13-12-22-11-10-15(13)17(16)21;/h3-9,22H,10-12H2,1-2H3,(H,24,26)(H2,23,25,27);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 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)-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride is sourced from PubChem (CID 120883039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).