4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

C22H16F4N2O2 — CID 73055698

IUPAC4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C22H16F4N2O2/c23-17-9-3-14(4-10-17)20(29)28-21(11-13-30-18-2-1-12-27-19(18)21)15-5-7-16(8-6-15)22(24,25)26/h1-10,12H,11,13H2,(H,28,29)/t21-/m0/s1
InChIKeyGITQIPSLROQPCA-NRFANRHFSA-N
MW416.37 g/mol
LogP4.70
Rot. Bonds3

About 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 73055698) has the molecular formula C22H16F4N2O2 and a molecular weight of 416.37 g/mol. Its IUPAC name is 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID73055698
Molecular FormulaC22H16F4N2O2
Molecular Weight416.37 g/mol
Exact Mass416.11
IUPAC Name4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C22H16F4N2O2/c23-17-9-3-14(4-10-17)20(29)28-21(11-13-30-18-2-1-12-27-19(18)21)15-5-7-16(8-6-15)22(24,25)26/h1-10,12H,11,13H2,(H,28,29)/t21-/m0/s1
InChIKeyGITQIPSLROQPCA-NRFANRHFSA-N
XLogP4.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Tta-A2
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 73055698) is 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is O=C(N[C@]1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is GITQIPSLROQPCA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H16F4N2O2/c23-17-9-3-14(4-10-17)20(29)28-21(11-13-30-18-2-1-12-27-19(18)21)15-5-7-16(8-6-15)22(24,25)26/h1-10,12H,11,13H2,(H,28,29)/t21-/m0/s1.
What are the key properties of 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 416.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 73055698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).