lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane

C23H16Cl2LiNO3S — CID 161123218

IUPAClithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane
SMILESC.O=C(Nc1ccc(-c2csc3ccccc23)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C22H13Cl2NO3S.CH4.Li/c23-13-6-7-15(18(24)10-13)21(26)25-19-8-5-12(9-16(19)22(27)28)17-11-29-20-4-2-1-3-14(17)20;;/h1-11H,(H,25,26)(H,27,28);1H4;/q;;+1/p-1
InChIKeyRAJGQGLPNUSGLJ-UHFFFAOYSA-M
MW464.30 g/mol
LogP3.13
Rot. Bonds4

About lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane

lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane (PubChem CID 161123218) has the molecular formula C23H16Cl2LiNO3S and a molecular weight of 464.30 g/mol. Its IUPAC name is lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane.

Molecular Properties

Compound Namelithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane
PubChem CID161123218
Molecular FormulaC23H16Cl2LiNO3S
Molecular Weight464.30 g/mol
Exact Mass463.04
IUPAC Namelithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane
SMILESC.O=C(Nc1ccc(-c2csc3ccccc23)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C22H13Cl2NO3S.CH4.Li/c23-13-6-7-15(18(24)10-13)21(26)25-19-8-5-12(9-16(19)22(27)28)17-11-29-20-4-2-1-3-14(17)20;;/h1-11H,(H,25,26)(H,27,28);1H4;/q;;+1/p-1
InChIKeyRAJGQGLPNUSGLJ-UHFFFAOYSA-M
XLogP3.13
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334

Frequently Asked Questions

What is the IUPAC name of lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane?
The IUPAC name of lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane (CID 161123218) is lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane.
What is the SMILES notation for lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane?
The canonical SMILES for lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane is C.O=C(Nc1ccc(-c2csc3ccccc23)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+].
What is the InChIKey of lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane?
The InChIKey is RAJGQGLPNUSGLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H13Cl2NO3S.CH4.Li/c23-13-6-7-15(18(24)10-13)21(26)25-19-8-5-12(9-16(19)22(27)28)17-11-29-20-4-2-1-3-14(17)20;;/h1-11H,(H,25,26)(H,27,28);1H4;/q;;+1/p-1.
What are the key properties of lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane?
lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane has a molecular weight of 464.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane is sourced from PubChem (CID 161123218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).