methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate

C15H11Cl2NO4 — CID 108745807

IUPACmethyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H11Cl2NO4/c1-22-15(21)10-3-2-4-12(13(10)19)18-14(20)9-6-5-8(16)7-11(9)17/h2-7,19H,1H3,(H,18,20)
InChIKeyBYNPFEDXOZUEHL-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.74
Rot. Bonds3

About methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate

methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate (PubChem CID 108745807) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
PubChem CID108745807
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Namemethyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H11Cl2NO4/c1-22-15(21)10-3-2-4-12(13(10)19)18-14(20)9-6-5-8(16)7-11(9)17/h2-7,19H,1H3,(H,18,20)
InChIKeyBYNPFEDXOZUEHL-UHFFFAOYSA-N
XLogP3.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 3-[3-(4-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 108745784
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate (CID 108745807) is methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate is COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate?
The InChIKey is BYNPFEDXOZUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-22-15(21)10-3-2-4-12(13(10)19)18-14(20)9-6-5-8(16)7-11(9)17/h2-7,19H,1H3,(H,18,20).
What are the key properties of methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate?
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate has a molecular weight of 340.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 108745807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).