5-chloro-2-fluoro-N-quinolin-8-ylbenzamide

C16H10ClFN2O — CID 17416993

IUPAC5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Cl)ccc1F
InChIInChI=1S/C16H10ClFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyUYJFADNZZDJBCY-UHFFFAOYSA-N
MW300.72 g/mol
LogP4.28
Rot. Bonds2

About 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide

5-chloro-2-fluoro-N-quinolin-8-ylbenzamide (PubChem CID 17416993) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
PubChem CID17416993
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Cl)ccc1F
InChIInChI=1S/C16H10ClFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyUYJFADNZZDJBCY-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide
CID 132546150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide (CID 17416993) is 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide?
The InChIKey is UYJFADNZZDJBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21).
What are the key properties of 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide?
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide has a molecular weight of 300.72 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 17416993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).