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

C20H15ClF3N3O3 — CID 57390771

IUPAC3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H15ClF3N3O3/c1-29-11-5-7-12(8-6-11)30-17-9-16(14(10-26-17)20(22,23)24)27-18-13(19(25)28)3-2-4-15(18)21/h2-10H,1H3,(H2,25,28)(H,26,27)
InChIKeyIREYXIHHOFTWLZ-UHFFFAOYSA-N
MW437.81 g/mol
LogP5.40
Rot. Bonds6

About 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57390771) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57390771
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC Name3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H15ClF3N3O3/c1-29-11-5-7-12(8-6-11)30-17-9-16(14(10-26-17)20(22,23)24)27-18-13(19(25)28)3-2-4-15(18)21/h2-10H,1H3,(H2,25,28)(H,26,27)
InChIKeyIREYXIHHOFTWLZ-UHFFFAOYSA-N
XLogP5.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 67617354
CID 67617354
CID 67617551
CID 67617551
CID 991453
CID 991453
CID 11545634
CID 11545634
CID 11546395
CID 11546395
CID 54764508
CID 54764508
CID 57390767
CID 57390767
CID 57390768
CID 57390768
CID 57390770
CID 57390770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57390771) is 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is COc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1.
What is the InChIKey of 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is IREYXIHHOFTWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-29-11-5-7-12(8-6-11)30-17-9-16(14(10-26-17)20(22,23)24)27-18-13(19(25)28)3-2-4-15(18)21/h2-10H,1H3,(H2,25,28)(H,26,27).
What are the key properties of 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 437.81 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57390771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).