2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid

C15H12INO4 — CID 63405359

IUPAC2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1O
InChIInChI=1S/C15H12INO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyOGPMZNURLYYUHG-UHFFFAOYSA-N
MW397.17 g/mol
LogP3.26
Rot. Bonds3

About 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid

2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid (PubChem CID 63405359) has the molecular formula C15H12INO4 and a molecular weight of 397.17 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
PubChem CID63405359
Molecular FormulaC15H12INO4
Molecular Weight397.17 g/mol
Exact Mass396.98
IUPAC Name2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1O
InChIInChI=1S/C15H12INO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyOGPMZNURLYYUHG-UHFFFAOYSA-N
XLogP3.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid (CID 63405359) is 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid is Cc1cccc(C(=O)Nc2ccc(I)cc2C(=O)O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid?
The InChIKey is OGPMZNURLYYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO4/c1-8-3-2-4-10(13(8)18)14(19)17-12-6-5-9(16)7-11(12)15(20)21/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid?
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid has a molecular weight of 397.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 63405359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).