2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

C20H10Cl2F3N2O4- — CID 59060311

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30)/p-1
InChIKeyGHGWFHNLJMNKRD-UHFFFAOYSA-M
MW470.21 g/mol
LogP4.82
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 59060311) has the molecular formula C20H10Cl2F3N2O4- and a molecular weight of 470.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
PubChem CID59060311
Molecular FormulaC20H10Cl2F3N2O4-
Molecular Weight470.21 g/mol
Exact Mass469.00
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30)/p-1
InChIKeyGHGWFHNLJMNKRD-UHFFFAOYSA-M
XLogP4.82
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate with MolForge

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Related Compounds

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
CID 173235220
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393
lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
CID 173235212
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 58737181
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (CID 59060311) is 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is GHGWFHNLJMNKRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H11Cl2F3N2O4/c21-11-2-4-13(15(22)7-11)18(28)27-16-5-3-12(8-14(16)19(29)30)31-17-6-1-10(9-26-17)20(23,24)25/h1-9H,(H,27,28)(H,29,30)/p-1.
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 470.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 59060311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).