3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide

C21H24FN3O3 — CID 120881932

IUPAC3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc3c(c2F)CCNC3)NC(C)=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-13(26)24-19(14-3-6-16(28-2)7-4-14)11-20(27)25-18-8-5-15-12-23-10-9-17(15)21(18)22/h3-8,19,23H,9-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQVEVYWYGDPJILT-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.69
Rot. Bonds6

About 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide

3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 120881932) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID120881932
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc3c(c2F)CCNC3)NC(C)=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-13(26)24-19(14-3-6-16(28-2)7-4-14)11-20(27)25-18-8-5-15-12-23-10-9-17(15)21(18)22/h3-8,19,23H,9-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQVEVYWYGDPJILT-UHFFFAOYSA-N
XLogP2.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
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-methoxyphenoxy)acetamide;hydrochloride
CID 120882521
3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide (CID 120881932) is 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)Nc2ccc3c(c2F)CCNC3)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is QVEVYWYGDPJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-13(26)24-19(14-3-6-16(28-2)7-4-14)11-20(27)25-18-8-5-15-12-23-10-9-17(15)21(18)22/h3-8,19,23H,9-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 385.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 120881932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).