2-fluoro-6-isoquinolin-5-ylbenzamide

C16H11FN2O — CID 50962592

IUPAC2-fluoro-6-isoquinolin-5-ylbenzamide
SMILESNC(=O)c1c(F)cccc1-c1cccc2cnccc12
InChIInChI=1S/C16H11FN2O/c17-14-6-2-5-13(15(14)16(18)20)12-4-1-3-10-9-19-8-7-11(10)12/h1-9H,(H2,18,20)
InChIKeyOLNVLPGIADWVKU-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.14
Rot. Bonds2

About 2-fluoro-6-isoquinolin-5-ylbenzamide

2-fluoro-6-isoquinolin-5-ylbenzamide (PubChem CID 50962592) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-fluoro-6-isoquinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-isoquinolin-5-ylbenzamide
PubChem CID50962592
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name2-fluoro-6-isoquinolin-5-ylbenzamide
SMILESNC(=O)c1c(F)cccc1-c1cccc2cnccc12
InChIInChI=1S/C16H11FN2O/c17-14-6-2-5-13(15(14)16(18)20)12-4-1-3-10-9-19-8-7-11(10)12/h1-9H,(H2,18,20)
InChIKeyOLNVLPGIADWVKU-UHFFFAOYSA-N
XLogP3.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-ylbenzamide
CID 39817654
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
2-isoquinolin-5-ylaniline
CID 62812627
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
CID 50975662
CID 161042703
CID 161042703
2-isoquinolin-5-ylacetamide
CID 68785768
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
6-methoxyisoquinoline-5-carboxamide
CID 82573912
5-pyrimidin-5-ylisoquinoline
CID 141337488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-isoquinolin-5-ylbenzamide?
The IUPAC name of 2-fluoro-6-isoquinolin-5-ylbenzamide (CID 50962592) is 2-fluoro-6-isoquinolin-5-ylbenzamide.
What is the SMILES notation for 2-fluoro-6-isoquinolin-5-ylbenzamide?
The canonical SMILES for 2-fluoro-6-isoquinolin-5-ylbenzamide is NC(=O)c1c(F)cccc1-c1cccc2cnccc12.
What is the InChIKey of 2-fluoro-6-isoquinolin-5-ylbenzamide?
The InChIKey is OLNVLPGIADWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-14-6-2-5-13(15(14)16(18)20)12-4-1-3-10-9-19-8-7-11(10)12/h1-9H,(H2,18,20).
What are the key properties of 2-fluoro-6-isoquinolin-5-ylbenzamide?
2-fluoro-6-isoquinolin-5-ylbenzamide has a molecular weight of 266.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-isoquinolin-5-ylbenzamide is sourced from PubChem (CID 50962592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).