2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide

C20H15F3N2O2 — CID 155530738

IUPAC2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-9-18(27-13-14-5-2-1-3-6-14)17(11-15)19(26)25-16-7-4-10-24-12-16/h1-12H,13H2,(H,25,26)
InChIKeyQDCGZGGBXYOTTN-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.93
Rot. Bonds5

About 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide

2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide (PubChem CID 155530738) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
PubChem CID155530738
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-9-18(27-13-14-5-2-1-3-6-14)17(11-15)19(26)25-16-7-4-10-24-12-16/h1-12H,13H2,(H,25,26)
InChIKeyQDCGZGGBXYOTTN-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide (CID 155530738) is 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The InChIKey is QDCGZGGBXYOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)15-8-9-18(27-13-14-5-2-1-3-6-14)17(11-15)19(26)25-16-7-4-10-24-12-16/h1-12H,13H2,(H,25,26).
What are the key properties of 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide has a molecular weight of 372.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155530738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).