4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid

C14H9Cl2NO4 — CID 60825182

IUPAC4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)c(O)c1
InChIInChI=1S/C14H9Cl2NO4/c15-8-2-1-3-9(16)12(8)13(19)17-10-5-4-7(14(20)21)6-11(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyMEZYZPIHSYFMBD-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.65
Rot. Bonds3

About 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid

4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 60825182) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID60825182
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)c(O)c1
InChIInChI=1S/C14H9Cl2NO4/c15-8-2-1-3-9(16)12(8)13(19)17-10-5-4-7(14(20)21)6-11(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyMEZYZPIHSYFMBD-UHFFFAOYSA-N
XLogP3.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826732
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 136704058
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid (CID 60825182) is 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)c(O)c1.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is MEZYZPIHSYFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-8-2-1-3-9(16)12(8)13(19)17-10-5-4-7(14(20)21)6-11(10)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid?
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 326.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60825182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).