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

C14H9Cl2NO4 — CID 107264731

IUPAC3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(12(9)16)13(19)17-10-6-7(14(20)21)4-5-11(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyOZFCOMLZMAMMDA-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.65
Rot. Bonds3

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

3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264731) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID107264731
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(12(9)16)13(19)17-10-6-7(14(20)21)4-5-11(10)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyOZFCOMLZMAMMDA-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-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid (CID 107264731) is 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is OZFCOMLZMAMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-9-3-1-2-8(12(9)16)13(19)17-10-6-7(14(20)21)4-5-11(10)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid?
3-[(2,3-dichlorobenzoyl)amino]-4-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 3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).