4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide

C14H10F3N3O2 — CID 90029237

IUPAC4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccnc3c2C(F)(F)CN3)c(F)c1
InChIInChI=1S/C14H10F3N3O2/c15-8-5-7(12(18)21)1-2-9(8)22-10-3-4-19-13-11(10)14(16,17)6-20-13/h1-5H,6H2,(H2,18,21)(H,19,20)
InChIKeyNGONBDDULJEUCR-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.63
Rot. Bonds3

About 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide

4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide (PubChem CID 90029237) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide
PubChem CID90029237
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Oc2ccnc3c2C(F)(F)CN3)c(F)c1
InChIInChI=1S/C14H10F3N3O2/c15-8-5-7(12(18)21)1-2-9(8)22-10-3-4-19-13-11(10)14(16,17)6-20-13/h1-5H,6H2,(H2,18,21)(H,19,20)
InChIKeyNGONBDDULJEUCR-UHFFFAOYSA-N
XLogP2.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
CID 118197886
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
1-N'-[3-fluoro-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 72948006
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
3,3-dibromo-4-(2-fluoro-4-nitrosophenoxy)-1H-pyrrolo[2,3-b]pyridin-2-one;ethane
CID 177004549
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide?
The IUPAC name of 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide (CID 90029237) is 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide?
The canonical SMILES for 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide is NC(=O)c1ccc(Oc2ccnc3c2C(F)(F)CN3)c(F)c1.
What is the InChIKey of 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide?
The InChIKey is NGONBDDULJEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-8-5-7(12(18)21)1-2-9(8)22-10-3-4-19-13-11(10)14(16,17)6-20-13/h1-5H,6H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide?
4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide has a molecular weight of 309.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoro-1,2-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorobenzamide is sourced from PubChem (CID 90029237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).