2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide

C25H20FN3O3 — CID 38277954

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c2cccnc12
InChIInChI=1S/C25H20FN3O3/c1-16-12-13-20(17-8-6-14-27-24(16)17)29-25(31)18-7-2-5-11-22(18)32-15-23(30)28-21-10-4-3-9-19(21)26/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyXKZWWBGFDNIYHI-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.95
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide (PubChem CID 38277954) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
PubChem CID38277954
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c2cccnc12
InChIInChI=1S/C25H20FN3O3/c1-16-12-13-20(17-8-6-14-27-24(16)17)29-25(31)18-7-2-5-11-22(18)32-15-23(30)28-21-10-4-3-9-19(21)26/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyXKZWWBGFDNIYHI-UHFFFAOYSA-N
XLogP4.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 43052391
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516196
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
2-[(2-bromo-3-pyridinyl)oxy]-N-(2-fluorophenyl)acetamide
CID 65102015
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-(3,5-dimethylphenoxy)-N-(8-methylquinolin-5-yl)acetamide
CID 38277487
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide (CID 38277954) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide is Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c2cccnc12.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide?
The InChIKey is XKZWWBGFDNIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-16-12-13-20(17-8-6-14-27-24(16)17)29-25(31)18-7-2-5-11-22(18)32-15-23(30)28-21-10-4-3-9-19(21)26/h2-14H,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide has a molecular weight of 429.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 38277954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).