N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide

C9H8INO3 — CID 59082526

IUPACN-(4-hydroxy-3-iodophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(O)c(I)c1
InChIInChI=1S/C9H8INO3/c1-5(12)9(14)11-6-2-3-8(13)7(10)4-6/h2-4,13H,1H3,(H,11,14)
InChIKeyYTUPWUJTNXHDDT-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.52
Rot. Bonds2

About N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide

N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide (PubChem CID 59082526) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-iodophenyl)-2-oxopropanamide
PubChem CID59082526
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC NameN-(4-hydroxy-3-iodophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(O)c(I)c1
InChIInChI=1S/C9H8INO3/c1-5(12)9(14)11-6-2-3-8(13)7(10)4-6/h2-4,13H,1H3,(H,11,14)
InChIKeyYTUPWUJTNXHDDT-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
CID 58523293
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
(2S)-2-amino-5-(4-hydroxy-3-iodoanilino)-5-oxopentanoic acid
CID 131873945
N-(3,4-diiodophenyl)-3-oxobutanamide
CID 19862154
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(4-methyl-3-phenylphenyl)-2-oxopropanamide
CID 110478364
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
CID 19873283
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
methyl 2-(3-bromo-4-iodoanilino)-2-oxoacetate
CID 130499995

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide?
The IUPAC name of N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide (CID 59082526) is N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide.
What is the SMILES notation for N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide?
The canonical SMILES for N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccc(O)c(I)c1.
What is the InChIKey of N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide?
The InChIKey is YTUPWUJTNXHDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c1-5(12)9(14)11-6-2-3-8(13)7(10)4-6/h2-4,13H,1H3,(H,11,14).
What are the key properties of N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide?
N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide has a molecular weight of 305.07 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-iodophenyl)-2-oxopropanamide is sourced from PubChem (CID 59082526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).