N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide

C15H14INO2 — CID 5120738

IUPACN-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
SMILESCc1cc(O)cc(C)c1NC(=O)c1ccccc1I
InChIInChI=1S/C15H14INO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyOMQRHUVPWOLIJA-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.87
Rot. Bonds2

About N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide

N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide (PubChem CID 5120738) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
PubChem CID5120738
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
SMILESCc1cc(O)cc(C)c1NC(=O)c1ccccc1I
InChIInChI=1S/C15H14INO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyOMQRHUVPWOLIJA-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide?
The IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide (CID 5120738) is N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide is Cc1cc(O)cc(C)c1NC(=O)c1ccccc1I.
What is the InChIKey of N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide?
The InChIKey is OMQRHUVPWOLIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide?
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide has a molecular weight of 367.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide is sourced from PubChem (CID 5120738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).