3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide

C21H18FN3O2 — CID 134808392

IUPAC3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)c3c2CCO3)c1
InChIInChI=1S/C21H18FN3O2/c1-23-21(26)14-5-2-4-13(10-14)18-12-24-20(19-17(18)8-9-27-19)25-16-7-3-6-15(22)11-16/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyWFEAKHCIQUKQSU-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.93
Rot. Bonds4

About 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide

3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide (PubChem CID 134808392) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
PubChem CID134808392
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)c3c2CCO3)c1
InChIInChI=1S/C21H18FN3O2/c1-23-21(26)14-5-2-4-13(10-14)18-12-24-20(19-17(18)8-9-27-19)25-16-7-3-6-15(22)11-16/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyWFEAKHCIQUKQSU-UHFFFAOYSA-N
XLogP3.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The IUPAC name of 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide (CID 134808392) is 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The canonical SMILES for 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)c3c2CCO3)c1.
What is the InChIKey of 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The InChIKey is WFEAKHCIQUKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-23-21(26)14-5-2-4-13(10-14)18-12-24-20(19-17(18)8-9-27-19)25-16-7-3-6-15(22)11-16/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide has a molecular weight of 363.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 134808392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).