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

C20H15ClF3N3O3 — CID 57394305

IUPAC2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-29-11-6-7-17(14(21)8-11)30-18-9-16(13(10-26-18)20(22,23)24)27-15-5-3-2-4-12(15)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27)
InChIKeyIBSOKDKEFQOSIY-UHFFFAOYSA-N
MW437.81 g/mol
LogP5.40
Rot. Bonds6

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

2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57394305) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57394305
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC Name2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-29-11-6-7-17(14(21)8-11)30-18-9-16(13(10-26-18)20(22,23)24)27-15-5-3-2-4-12(15)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27)
InChIKeyIBSOKDKEFQOSIY-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

Analyze 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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Related Compounds

6-chloro-7-methoxy-2-methyl-3-[6-[4-(trifluoromethoxy)phenoxy]-3-pyridyl]-1H-quinolin-4-one
CID 90676100
4-[(2-chlorophenoxy)methyl]-N-(pyridin-4-yl)benzamide
CID 890653
(2-Chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11292294
3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]-3-pyridyl]-1H-quinolin-4-one
CID 67617551
N-[4-chloro-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044250
6-[2-Chloro-4-[2-[(3-fluorophenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68747847
5-chloro-2-[(4-methoxybenzoyl)amino]-N-(4-pyridinyl)benzamide
CID 991453
(3-Chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11545634
(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11546395
2-[[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 54764508
2-[[2-(4-Propoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 57390767
2-[[2-(3-Chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 57390768

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57394305) is 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is IBSOKDKEFQOSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-29-11-6-7-17(14(21)8-11)30-18-9-16(13(10-26-18)20(22,23)24)27-15-5-3-2-4-12(15)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27).
What are the key properties of 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(2-chloro-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 2-[[2-(2-chloro-4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57394305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).