N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C24H17ClFN3O3 — CID 43052391

IUPACN-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cc(Cl)cc2cccnc12)Nc1ccccc1F
InChIInChI=1S/C24H17ClFN3O3/c25-16-12-15-6-5-11-27-23(15)20(13-16)29-24(31)17-7-1-4-10-21(17)32-14-22(30)28-19-9-3-2-8-18(19)26/h1-13H,14H2,(H,28,30)(H,29,31)
InChIKeyBRVNLZAEMNCOCU-UHFFFAOYSA-N
MW449.87 g/mol
LogP5.30
Rot. Bonds6

About N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 43052391) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID43052391
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC NameN-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cc(Cl)cc2cccnc12)Nc1ccccc1F
InChIInChI=1S/C24H17ClFN3O3/c25-16-12-15-6-5-11-27-23(15)20(13-16)29-24(31)17-7-1-4-10-21(17)32-14-22(30)28-19-9-3-2-8-18(19)26/h1-13H,14H2,(H,28,30)(H,29,31)
InChIKeyBRVNLZAEMNCOCU-UHFFFAOYSA-N
XLogP5.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.87
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
CID 38277954
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
2-(2-chlorophenoxy)-N-quinolin-8-ylacetamide
CID 952634
N-(5-chloro-2-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716254
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26066103
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673455

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 43052391) is N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)Nc1cc(Cl)cc2cccnc12)Nc1ccccc1F.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is BRVNLZAEMNCOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c25-16-12-15-6-5-11-27-23(15)20(13-16)29-24(31)17-7-1-4-10-21(17)32-14-22(30)28-19-9-3-2-8-18(19)26/h1-13H,14H2,(H,28,30)(H,29,31).
What are the key properties of N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 449.87 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 43052391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).