4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide

C20H20FN3O2 — CID 171471690

IUPAC4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide
SMILESCN(C)CCOc1ccc(C(=O)Nc2ccc(F)c3ccncc23)cc1
InChIInChI=1S/C20H20FN3O2/c1-24(2)11-12-26-15-5-3-14(4-6-15)20(25)23-19-8-7-18(21)16-9-10-22-13-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyHVVUKNLZWGNWDX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.57
Rot. Bonds6

About 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide

4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide (PubChem CID 171471690) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide
PubChem CID171471690
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide
SMILESCN(C)CCOc1ccc(C(=O)Nc2ccc(F)c3ccncc23)cc1
InChIInChI=1S/C20H20FN3O2/c1-24(2)11-12-26-15-5-3-14(4-6-15)20(25)23-19-8-7-18(21)16-9-10-22-13-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyHVVUKNLZWGNWDX-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
N-(2-fluoro-5-methylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676400
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
CID 167973852
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide (CID 171471690) is 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide is CN(C)CCOc1ccc(C(=O)Nc2ccc(F)c3ccncc23)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide?
The InChIKey is HVVUKNLZWGNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-24(2)11-12-26-15-5-3-14(4-6-15)20(25)23-19-8-7-18(21)16-9-10-22-13-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide?
4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(5-fluoroisoquinolin-8-yl)benzamide is sourced from PubChem (CID 171471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).