lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen

C23H20Cl2LiNO6 — CID 159142897

IUPAClithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
SMILESCOc1ccccc1OCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1.[H][H].[Li+]
InChIInChI=1S/C23H19Cl2NO6.Li.H2/c1-30-20-4-2-3-5-21(20)32-11-10-31-15-7-9-19(17(13-15)23(28)29)26-22(27)16-8-6-14(24)12-18(16)25;;/h2-9,12-13H,10-11H2,1H3,(H,26,27)(H,28,29);;1H/q;+1;/p-1
InChIKeyVBFDGAFYHUJGGL-UHFFFAOYSA-M
MW484.26 g/mol
LogP1.33
Rot. Bonds9

About lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen (PubChem CID 159142897) has the molecular formula C23H20Cl2LiNO6 and a molecular weight of 484.26 g/mol. Its IUPAC name is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen.

Molecular Properties

Compound Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
PubChem CID159142897
Molecular FormulaC23H20Cl2LiNO6
Molecular Weight484.26 g/mol
Exact Mass483.08
IUPAC Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
SMILESCOc1ccccc1OCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1.[H][H].[Li+]
InChIInChI=1S/C23H19Cl2NO6.Li.H2/c1-30-20-4-2-3-5-21(20)32-11-10-31-15-7-9-19(17(13-15)23(28)29)26-22(27)16-8-6-14(24)12-18(16)25;;/h2-9,12-13H,10-11H2,1H3,(H,26,27)(H,28,29);;1H/q;+1;/p-1
InChIKeyVBFDGAFYHUJGGL-UHFFFAOYSA-M
XLogP1.33
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
CID 142203116
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 59060311
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080

Frequently Asked Questions

What is the IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen?
The IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen (CID 159142897) is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen.
What is the SMILES notation for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen?
The canonical SMILES for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen is COc1ccccc1OCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1.[H][H].[Li+].
What is the InChIKey of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen?
The InChIKey is VBFDGAFYHUJGGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19Cl2NO6.Li.H2/c1-30-20-4-2-3-5-21(20)32-11-10-31-15-7-9-19(17(13-15)23(28)29)26-22(27)16-8-6-14(24)12-18(16)25;;/h2-9,12-13H,10-11H2,1H3,(H,26,27)(H,28,29);;1H/q;+1;/p-1.
What are the key properties of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen?
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen has a molecular weight of 484.26 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen is sourced from PubChem (CID 159142897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).