lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride

C18H11Cl3LiN3O4 — CID 173235212

IUPAClithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
SMILESO=C(Nc1ccc(Oc2cncc(Cl)n2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+]
InChIInChI=1S/C18H10Cl3N3O4.Li.H/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16;;/h1-8H,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyUHQHPAXQIHGAFR-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.30
Rot. Bonds5

About lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride

lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride (PubChem CID 173235212) has the molecular formula C18H11Cl3LiN3O4 and a molecular weight of 446.60 g/mol. Its IUPAC name is lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride.

Molecular Properties

Compound Namelithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
PubChem CID173235212
Molecular FormulaC18H11Cl3LiN3O4
Molecular Weight446.60 g/mol
Exact Mass445.00
IUPAC Namelithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
SMILESO=C(Nc1ccc(Oc2cncc(Cl)n2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+]
InChIInChI=1S/C18H10Cl3N3O4.Li.H/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16;;/h1-8H,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyUHQHPAXQIHGAFR-UHFFFAOYSA-N
XLogP2.30
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
CID 173235220
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 59060311
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
methyl 5-(6-chloropyrazin-2-yl)oxy-2-(trifluoromethylsulfonylamino)benzoate
CID 139753889

Frequently Asked Questions

What is the IUPAC name of lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride?
The IUPAC name of lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride (CID 173235212) is lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride.
What is the SMILES notation for lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride?
The canonical SMILES for lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride is O=C(Nc1ccc(Oc2cncc(Cl)n2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+].
What is the InChIKey of lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride?
The InChIKey is UHQHPAXQIHGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N3O4.Li.H/c19-9-1-3-11(13(20)5-9)17(25)23-14-4-2-10(6-12(14)18(26)27)28-16-8-22-7-15(21)24-16;;/h1-8H,(H,23,25)(H,26,27);;/q;+1;-1.
What are the key properties of lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride?
lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride has a molecular weight of 446.60 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride is sourced from PubChem (CID 173235212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).