N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide

C14H12INO2 — CID 64792908

IUPACN-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)cc2)cc1O
InChIInChI=1S/C14H12INO2/c1-9-2-7-12(8-13(9)17)16-14(18)10-3-5-11(15)6-4-10/h2-8,17H,1H3,(H,16,18)
InChIKeyWAXXAILEHGAPEI-UHFFFAOYSA-N
MW353.16 g/mol
LogP3.56
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide

N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide (PubChem CID 64792908) has the molecular formula C14H12INO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
PubChem CID64792908
Molecular FormulaC14H12INO2
Molecular Weight353.16 g/mol
Exact Mass352.99
IUPAC NameN-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
SMILESCc1ccc(NC(=O)c2ccc(I)cc2)cc1O
InChIInChI=1S/C14H12INO2/c1-9-2-7-12(8-13(9)17)16-14(18)10-3-5-11(15)6-4-10/h2-8,17H,1H3,(H,16,18)
InChIKeyWAXXAILEHGAPEI-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide 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-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
2-hydroxy-4-[(4-iodobenzoyl)amino]benzoic acid
CID 28667790
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113290193
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide (CID 64792908) is N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide is Cc1ccc(NC(=O)c2ccc(I)cc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide?
The InChIKey is WAXXAILEHGAPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO2/c1-9-2-7-12(8-13(9)17)16-14(18)10-3-5-11(15)6-4-10/h2-8,17H,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide?
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide has a molecular weight of 353.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 64792908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).