3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride

C19H21ClFN3O3 — CID 120882283

About 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride

3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 120882283) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
• PubChem CID: 120882283
• Molecular Formula: C19H21ClFN3O3
• Molecular Weight: 393.85 g/mol
• Exact Mass: 393.13
• IUPAC Name: 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
• SMILES: Cl.NC(=O)c1cccc(OCCC(=O)Nc2ccc3c(c2F)CCNC3)c1
• InChI: InChI=1S/C19H20FN3O3.ClH/c20-18-15-6-8-22-11-13(15)4-5-16(18)23-17(24)7-9-26-14-3-1-2-12(10-14)19(21)25;/h1-5,10,22H,6-9,11H2,(H2,21,25)(H,23,24);1H
• InChIKey: FGRDWOHXUKEIQY-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 93.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.85
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?

The IUPAC name of 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride (CID 120882283) is 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride.

What is the SMILES notation for 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?

The canonical SMILES for 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride is Cl.NC(=O)c1cccc(OCCC(=O)Nc2ccc3c(c2F)CCNC3)c1.

What is the InChIKey of 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?

The InChIKey is FGRDWOHXUKEIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3.ClH/c20-18-15-6-8-22-11-13(15)4-5-16(18)23-17(24)7-9-26-14-3-1-2-12(10-14)19(21)25;/h1-5,10,22H,6-9,11H2,(H2,21,25)(H,23,24);1H.

What are the key properties of 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride?

3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 393.85 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 120882283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).