3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H15F3N2O2 — CID 56679203

IUPAC3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-6-14(7-9-15)19(27,17-5-2-10-25-12-17)16-4-1-3-13(11-16)18(24)26/h1-12,27H,(H2,24,26)
InChIKeyKHSMTVXJHDGDQQ-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.48
Rot. Bonds4

About 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide

3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 56679203) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID56679203
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1cccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-6-14(7-9-15)19(27,17-5-2-10-25-12-17)16-4-1-3-13(11-16)18(24)26/h1-12,27H,(H2,24,26)
InChIKeyKHSMTVXJHDGDQQ-UHFFFAOYSA-N
XLogP3.48
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 56679203) is 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)c1cccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is KHSMTVXJHDGDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-6-14(7-9-15)19(27,17-5-2-10-25-12-17)16-4-1-3-13(11-16)18(24)26/h1-12,27H,(H2,24,26).
What are the key properties of 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 372.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 56679203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).