3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

C21H25FN4O2 — CID 120883720

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C21H25FN4O2/c1-26(14-15-5-3-2-4-6-15)21(28)24-12-10-19(27)25-18-8-7-16-13-23-11-9-17(16)20(18)22/h2-8,23H,9-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyJPNAFWDDKUITCY-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.64
Rot. Bonds6

About 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (PubChem CID 120883720) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
PubChem CID120883720
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C21H25FN4O2/c1-26(14-15-5-3-2-4-6-15)21(28)24-12-10-19(27)25-18-8-7-16-13-23-11-9-17(16)20(18)22/h2-8,23H,9-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyJPNAFWDDKUITCY-UHFFFAOYSA-N
XLogP2.64
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide with MolForge

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Related Compounds

N-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120882995
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
2-[ethylsulfonyl(methyl)amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882028
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 120881923
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
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-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 120882988
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (CID 120883720) is 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The InChIKey is JPNAFWDDKUITCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-26(14-15-5-3-2-4-6-15)21(28)24-12-10-19(27)25-18-8-7-16-13-23-11-9-17(16)20(18)22/h2-8,23H,9-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is sourced from PubChem (CID 120883720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).