3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide

C20H15F3N2O3 — CID 2814187

IUPAC3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-16-6-2-4-13(10-16)19(26)25-15-8-9-18(24-12-15)28-17-7-3-5-14(11-17)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyKSQRVISHADNGQF-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.15
Rot. Bonds5

About 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide

3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (PubChem CID 2814187) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
PubChem CID2814187
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)c1
InChIInChI=1S/C20H15F3N2O3/c1-27-16-6-2-4-13(10-16)19(26)25-15-8-9-18(24-12-15)28-17-7-3-5-14(11-17)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyKSQRVISHADNGQF-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (CID 2814187) is 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The InChIKey is KSQRVISHADNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-16-6-2-4-13(10-16)19(26)25-15-8-9-18(24-12-15)28-17-7-3-5-14(11-17)20(21,22)23/h2-12H,1H3,(H,25,26).
What are the key properties of 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide has a molecular weight of 388.35 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 2814187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).