2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C21H16FN5O3 — CID 55672271

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nnc2ccccn12)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O3/c22-15-8-2-3-9-16(15)23-19(28)13-30-17-10-4-1-7-14(17)20(29)24-21-26-25-18-11-5-6-12-27(18)21/h1-12H,13H2,(H,23,28)(H,24,26,29)
InChIKeyZLPFLFYFKDDDQV-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 55672271) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
PubChem CID55672271
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nnc2ccccn12)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O3/c22-15-8-2-3-9-16(15)23-19(28)13-30-17-10-4-1-7-14(17)20(29)24-21-26-25-18-11-5-6-12-27(18)21/h1-12H,13H2,(H,23,28)(H,24,26,29)
InChIKeyZLPFLFYFKDDDQV-UHFFFAOYSA-N
XLogP3.14
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761221
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
CID 9355779
5-chloro-2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 38961107
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 55672271) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is O=C(COc1ccccc1C(=O)Nc1nnc2ccccn12)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The InChIKey is ZLPFLFYFKDDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c22-15-8-2-3-9-16(15)23-19(28)13-30-17-10-4-1-7-14(17)20(29)24-21-26-25-18-11-5-6-12-27(18)21/h1-12H,13H2,(H,23,28)(H,24,26,29).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 405.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 55672271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).