5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide

C15H13F3N2O3 — CID 13037178

IUPAC5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1ccccn1)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h1-7,21H,8-9H2,(H,20,22)
InChIKeyMFBPSJGIVGOCMN-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.66
Rot. Bonds5

About 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide

5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 13037178) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID13037178
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1ccccn1)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h1-7,21H,8-9H2,(H,20,22)
InChIKeyMFBPSJGIVGOCMN-UHFFFAOYSA-N
XLogP2.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 91231286
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 102382502
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480438
5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 40582614
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707
5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 21243520

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide (CID 13037178) is 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide is O=C(NCc1ccccn1)c1cc(O)ccc1OCC(F)(F)F.
What is the InChIKey of 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is MFBPSJGIVGOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h1-7,21H,8-9H2,(H,20,22).
What are the key properties of 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 326.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 13037178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).