lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride

C23H20Cl2LiNO5 — CID 173235013

IUPAClithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
SMILESCOc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1.[H-].[Li+]
InChIInChI=1S/C23H19Cl2NO5.Li.H/c1-30-16-4-2-3-14(11-16)9-10-31-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-15(24)12-20(18)25;;/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29);;/q;+1;-1
InChIKeyOFEROCOSDWBZIP-UHFFFAOYSA-N
MW468.26 g/mol
LogP2.69
Rot. Bonds8

About lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride (PubChem CID 173235013) has the molecular formula C23H20Cl2LiNO5 and a molecular weight of 468.26 g/mol. Its IUPAC name is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride.

Molecular Properties

Compound Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
PubChem CID173235013
Molecular FormulaC23H20Cl2LiNO5
Molecular Weight468.26 g/mol
Exact Mass467.09
IUPAC Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
SMILESCOc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1.[H-].[Li+]
InChIInChI=1S/C23H19Cl2NO5.Li.H/c1-30-16-4-2-3-14(11-16)9-10-31-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-15(24)12-20(18)25;;/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29);;/q;+1;-1
InChIKeyOFEROCOSDWBZIP-UHFFFAOYSA-N
XLogP2.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
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-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
CID 142203116
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
CID 173235212

Frequently Asked Questions

What is the IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride?
The IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride (CID 173235013) is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride.
What is the SMILES notation for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride?
The canonical SMILES for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride is COc1cccc(CCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1.[H-].[Li+].
What is the InChIKey of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride?
The InChIKey is OFEROCOSDWBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO5.Li.H/c1-30-16-4-2-3-14(11-16)9-10-31-17-6-8-21(19(13-17)23(28)29)26-22(27)18-7-5-15(24)12-20(18)25;;/h2-8,11-13H,9-10H2,1H3,(H,26,27)(H,28,29);;/q;+1;-1.
What are the key properties of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride?
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride has a molecular weight of 468.26 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride is sourced from PubChem (CID 173235013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).