2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide

C11H13I2NO3 — CID 93041920

IUPAC2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H13I2NO3/c1-2-7(5-15)14-11(17)8-3-6(12)4-9(13)10(8)16/h3-4,7,15-16H,2,5H2,1H3,(H,14,17)/t7-/m0/s1
InChIKeyXYWRJBFJEBIDMK-ZETCQYMHSA-N
MW461.04 g/mol
LogP2.10
Rot. Bonds4

About 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide

2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide (PubChem CID 93041920) has the molecular formula C11H13I2NO3 and a molecular weight of 461.04 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
PubChem CID93041920
Molecular FormulaC11H13I2NO3
Molecular Weight461.04 g/mol
Exact Mass460.90
IUPAC Name2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H13I2NO3/c1-2-7(5-15)14-11(17)8-3-6(12)4-9(13)10(8)16/h3-4,7,15-16H,2,5H2,1H3,(H,14,17)/t7-/m0/s1
InChIKeyXYWRJBFJEBIDMK-ZETCQYMHSA-N
XLogP2.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.04
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
CID 93033016
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-2-methylbutanoic acid
CID 80538597
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide?
The IUPAC name of 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide (CID 93041920) is 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide?
The canonical SMILES for 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide is CC[C@@H](CO)NC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide?
The InChIKey is XYWRJBFJEBIDMK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13I2NO3/c1-2-7(5-15)14-11(17)8-3-6(12)4-9(13)10(8)16/h3-4,7,15-16H,2,5H2,1H3,(H,14,17)/t7-/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide?
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide has a molecular weight of 461.04 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide is sourced from PubChem (CID 93041920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).