2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid

C14H10ClNO5 — CID 114343292

IUPAC2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl
InChIInChI=1S/C14H10ClNO5/c15-10-5-4-7(6-9(10)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyJTUPRJLDSNWQLJ-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid

2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 114343292) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
PubChem CID114343292
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl
InChIInChI=1S/C14H10ClNO5/c15-10-5-4-7(6-9(10)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyJTUPRJLDSNWQLJ-UHFFFAOYSA-N
XLogP2.70
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
2-chloro-5-[(2,3,4-trihydroxyphenyl)methylamino]benzoic acid
CID 107730669
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid (CID 114343292) is 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is JTUPRJLDSNWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-10-5-4-7(6-9(10)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid has a molecular weight of 307.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 114343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).