4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide

C23H17F3N2O4 — CID 156871512

IUPAC4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccc(Cc2ccnc(Oc3ccc4c(c3)OCCC4=O)c2C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)20-15(11-13-1-3-14(4-2-13)21(27)30)7-9-28-22(20)32-16-5-6-17-18(29)8-10-31-19(17)12-16/h1-7,9,12H,8,10-11H2,(H2,27,30)
InChIKeyAHJWESSMORCGPY-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.55
Rot. Bonds5

About 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide

4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide (PubChem CID 156871512) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide
PubChem CID156871512
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccc(Cc2ccnc(Oc3ccc4c(c3)OCCC4=O)c2C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)20-15(11-13-1-3-14(4-2-13)21(27)30)7-9-28-22(20)32-16-5-6-17-18(29)8-10-31-19(17)12-16/h1-7,9,12H,8,10-11H2,(H2,27,30)
InChIKeyAHJWESSMORCGPY-UHFFFAOYSA-N
XLogP4.55
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide (CID 156871512) is 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide is NC(=O)c1ccc(Cc2ccnc(Oc3ccc4c(c3)OCCC4=O)c2C(F)(F)F)cc1.
What is the InChIKey of 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide?
The InChIKey is AHJWESSMORCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)20-15(11-13-1-3-14(4-2-13)21(27)30)7-9-28-22(20)32-16-5-6-17-18(29)8-10-31-19(17)12-16/h1-7,9,12H,8,10-11H2,(H2,27,30).
What are the key properties of 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide?
4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide has a molecular weight of 442.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]-3-(trifluoromethyl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 156871512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).