2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid

C15H12INO4 — CID 45418047

IUPAC2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid
SMILESO=C(COc1ccc(I)cc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12INO4/c16-10-6-7-13(12(8-10)15(19)20)21-9-14(18)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyRGAXDYACZVCZHX-UHFFFAOYSA-N
MW397.17 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid

2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid (PubChem CID 45418047) has the molecular formula C15H12INO4 and a molecular weight of 397.17 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid
PubChem CID45418047
Molecular FormulaC15H12INO4
Molecular Weight397.17 g/mol
Exact Mass396.98
IUPAC Name2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid
SMILESO=C(COc1ccc(I)cc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C15H12INO4/c16-10-6-7-13(12(8-10)15(19)20)21-9-14(18)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyRGAXDYACZVCZHX-UHFFFAOYSA-N
XLogP3.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 53.01
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-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
5-iodo-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 78909446
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
5-iodo-2-[2-(oxan-4-ylamino)-2-oxoethoxy]benzoic acid
CID 82991129
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
5-chloro-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417864
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid?
The IUPAC name of 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid (CID 45418047) is 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid is O=C(COc1ccc(I)cc1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid?
The InChIKey is RGAXDYACZVCZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO4/c16-10-6-7-13(12(8-10)15(19)20)21-9-14(18)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid?
2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid has a molecular weight of 397.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid is sourced from PubChem (CID 45418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).