N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide

C12H14I3NO3 — CID 106153883

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
SMILESCOCC(CCO)NC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C12H14I3NO3/c1-19-6-8(2-3-17)16-12(18)9-4-7(13)5-10(14)11(9)15/h4-5,8,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyQJRFTZJECIBKHW-UHFFFAOYSA-N
MW600.96 g/mol
LogP2.63
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide (PubChem CID 106153883) has the molecular formula C12H14I3NO3 and a molecular weight of 600.96 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
PubChem CID106153883
Molecular FormulaC12H14I3NO3
Molecular Weight600.96 g/mol
Exact Mass600.81
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
SMILESCOCC(CCO)NC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C12H14I3NO3/c1-19-6-8(2-3-17)16-12(18)9-4-7(13)5-10(14)11(9)15/h4-5,8,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyQJRFTZJECIBKHW-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.96
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide 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

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-5-sulfanylbenzamide
CID 106162864
(2S)-3-hydroxy-2-[(2,3,5-triiodobenzoyl)amino]propanoic acid
CID 63404701
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)furan-3-carboxamide
CID 106899013
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide (CID 106153883) is N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide is COCC(CCO)NC(=O)c1cc(I)cc(I)c1I.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide?
The InChIKey is QJRFTZJECIBKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14I3NO3/c1-19-6-8(2-3-17)16-12(18)9-4-7(13)5-10(14)11(9)15/h4-5,8,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide has a molecular weight of 600.96 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide is sourced from PubChem (CID 106153883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).