5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid

C15H12INO4 — CID 45345783

IUPAC5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C15H12INO4/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNIZRYTSMYJOMHI-UHFFFAOYSA-N
MW397.17 g/mol
LogP3.25
Rot. Bonds4

About 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid

5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid (PubChem CID 45345783) has the molecular formula C15H12INO4 and a molecular weight of 397.17 g/mol. Its IUPAC name is 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
PubChem CID45345783
Molecular FormulaC15H12INO4
Molecular Weight397.17 g/mol
Exact Mass396.98
IUPAC Name5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C15H12INO4/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNIZRYTSMYJOMHI-UHFFFAOYSA-N
XLogP3.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid (CID 45345783) is 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid is COc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)O.
What is the InChIKey of 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid?
The InChIKey is NIZRYTSMYJOMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO4/c1-21-13-5-3-2-4-10(13)14(18)17-12-7-6-9(16)8-11(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid?
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid has a molecular weight of 397.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 45345783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).