2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid

C14H9ClINO4 — CID 106500272

IUPAC2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
SMILESO=C(Nc1ccc(I)cc1C(=O)O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9ClINO4/c15-11-3-2-8(18)6-9(11)13(19)17-12-4-1-7(16)5-10(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQAUISVNSEJJUBH-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid

2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid (PubChem CID 106500272) has the molecular formula C14H9ClINO4 and a molecular weight of 417.59 g/mol. Its IUPAC name is 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
PubChem CID106500272
Molecular FormulaC14H9ClINO4
Molecular Weight417.59 g/mol
Exact Mass416.93
IUPAC Name2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
SMILESO=C(Nc1ccc(I)cc1C(=O)O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9ClINO4/c15-11-3-2-8(18)6-9(11)13(19)17-12-4-1-7(16)5-10(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyQAUISVNSEJJUBH-UHFFFAOYSA-N
XLogP3.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
CID 1018720
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
2-[(4-chloro-3-nitrobenzoyl)amino]-5-iodobenzoic acid
CID 45345771
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid (CID 106500272) is 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid is O=C(Nc1ccc(I)cc1C(=O)O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid?
The InChIKey is QAUISVNSEJJUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO4/c15-11-3-2-8(18)6-9(11)13(19)17-12-4-1-7(16)5-10(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid?
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid has a molecular weight of 417.59 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 106500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).