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

2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 117077328
5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
CID 66992529
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
3-methyl-2-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 142787848
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
2-(4-methoxyanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 175672865
5-[4-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-2-methoxybenzamide
CID 56952743
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 118908133

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).