2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid

C15H12INO4 — CID 107731230

IUPAC2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C15H12INO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)
InChIKeyPXLYZRMGTPKBEJ-UHFFFAOYSA-N
MW397.17 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid

2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid (PubChem CID 107731230) has the molecular formula C15H12INO4 and a molecular weight of 397.17 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
PubChem CID107731230
Molecular FormulaC15H12INO4
Molecular Weight397.17 g/mol
Exact Mass396.98
IUPAC Name2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C15H12INO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21)
InChIKeyPXLYZRMGTPKBEJ-UHFFFAOYSA-N
XLogP2.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 52.55
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-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-fluoro-2-hydroxybenzamide
CID 115298723
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
(2S)-2-[(4-hydroxy-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 107675151
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid (CID 107731230) is 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1cc(I)ccc1O.
What is the InChIKey of 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is PXLYZRMGTPKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO4/c16-10-6-7-12(18)11(8-10)14(19)17-13(15(20)21)9-4-2-1-3-5-9/h1-8,13,18H,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid?
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 397.17 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107731230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).