N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide

C15H14INO2 — CID 47059383

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccccc1I
InChIInChI=1S/C15H14INO2/c16-14-4-2-1-3-13(14)15(19)17-10-9-11-5-7-12(18)8-6-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyUDWIRYGCGAKTRQ-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide

N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide (PubChem CID 47059383) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
PubChem CID47059383
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccccc1I
InChIInChI=1S/C15H14INO2/c16-14-4-2-1-3-13(14)15(19)17-10-9-11-5-7-12(18)8-6-11/h1-8,18H,9-10H2,(H,17,19)
InChIKeyUDWIRYGCGAKTRQ-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
CID 11409427
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide (CID 47059383) is N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide is O=C(NCCc1ccc(O)cc1)c1ccccc1I.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide?
The InChIKey is UDWIRYGCGAKTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c16-14-4-2-1-3-13(14)15(19)17-10-9-11-5-7-12(18)8-6-11/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide has a molecular weight of 367.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 47059383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).