2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide

C12H16INO3 — CID 113229831

IUPAC2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO3/c1-8(5-6-17-2)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyPXHWZODMDPWZGJ-UHFFFAOYSA-N
MW349.17 g/mol
LogP2.15
Rot. Bonds5

About 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide

2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 113229831) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
PubChem CID113229831
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC Name2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H16INO3/c1-8(5-6-17-2)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyPXHWZODMDPWZGJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide 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

2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
tert-butyl (2R)-2-[(2-hydroxy-5-iodobenzoyl)amino]propanoate
CID 103873822
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579022
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-hydroxy-5-iodobenzamide
CID 107731679

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide (CID 113229831) is 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is PXHWZODMDPWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3/c1-8(5-6-17-2)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide?
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 349.17 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 113229831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).