2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid

C15H10F2INO4 — CID 11419087

IUPAC2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O
InChIInChI=1S/C15H10F2INO4/c16-8-1-2-9(11(17)5-8)7-3-10(14(22)12(18)4-7)15(23)19-6-13(20)21/h1-5,22H,6H2,(H,19,23)(H,20,21)
InChIKeySOLHJARPNVFITK-UHFFFAOYSA-N
MW433.15 g/mol
LogP2.76
Rot. Bonds4

About 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid

2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid (PubChem CID 11419087) has the molecular formula C15H10F2INO4 and a molecular weight of 433.15 g/mol. Its IUPAC name is 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid
PubChem CID11419087
Molecular FormulaC15H10F2INO4
Molecular Weight433.15 g/mol
Exact Mass432.96
IUPAC Name2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O
InChIInChI=1S/C15H10F2INO4/c16-8-1-2-9(11(17)5-8)7-3-10(14(22)12(18)4-7)15(23)19-6-13(20)21/h1-5,22H,6H2,(H,19,23)(H,20,21)
InChIKeySOLHJARPNVFITK-UHFFFAOYSA-N
XLogP2.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.15
LogP ≤ 52.76
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-hydroxy-3-iodobenzoyl)amino]acetic acid
CID 163099748
5-(2,4-difluorophenyl)-3-iodo-2-methylbenzamide
CID 58922344
2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-methylbenzoyl]amino]-3-hydroxypropanoic acid;ethane
CID 143027452
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
5-(2,4-difluorophenyl)benzene-1,3-diol
CID 171771394
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 119137083
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid (CID 11419087) is 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid is O=C(O)CNC(=O)c1cc(-c2ccc(F)cc2F)cc(I)c1O.
What is the InChIKey of 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid?
The InChIKey is SOLHJARPNVFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2INO4/c16-8-1-2-9(11(17)5-8)7-3-10(14(22)12(18)4-7)15(23)19-6-13(20)21/h1-5,22H,6H2,(H,19,23)(H,20,21).
What are the key properties of 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid?
2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid has a molecular weight of 433.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid is sourced from PubChem (CID 11419087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).