4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C21H18F3N3O4 — CID 57390770

IUPAC4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C21H18F3N3O4/c1-29-12-3-5-13(6-4-12)31-19-10-18(16(11-26-19)21(22,23)24)27-17-9-14(30-2)7-8-15(17)20(25)28/h3-11H,1-2H3,(H2,25,28)(H,26,27)
InChIKeyVLAOHGRMNLKXML-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.75
Rot. Bonds7

About 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57390770) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57390770
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C21H18F3N3O4/c1-29-12-3-5-13(6-4-12)31-19-10-18(16(11-26-19)21(22,23)24)27-17-9-14(30-2)7-8-15(17)20(25)28/h3-11H,1-2H3,(H2,25,28)(H,26,27)
InChIKeyVLAOHGRMNLKXML-UHFFFAOYSA-N
XLogP4.75
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57390770) is 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is COc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is VLAOHGRMNLKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-29-12-3-5-13(6-4-12)31-19-10-18(16(11-26-19)21(22,23)24)27-17-9-14(30-2)7-8-15(17)20(25)28/h3-11H,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 433.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57390770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).