3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide

C15H14INO3 — CID 104630304

IUPAC3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(I)c(O)c1
InChIInChI=1S/C15H14INO3/c16-12-7-6-11(8-14(12)19)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20)
InChIKeyZIDRHPUMBWWJJQ-UHFFFAOYSA-N
MW383.19 g/mol
LogP2.46
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide

3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide (PubChem CID 104630304) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
PubChem CID104630304
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Name3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(I)c(O)c1
InChIInChI=1S/C15H14INO3/c16-12-7-6-11(8-14(12)19)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20)
InChIKeyZIDRHPUMBWWJJQ-UHFFFAOYSA-N
XLogP2.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide (CID 104630304) is 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide is O=C(NC(CO)c1ccccc1)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide?
The InChIKey is ZIDRHPUMBWWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c16-12-7-6-11(8-14(12)19)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20).
What are the key properties of 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide?
3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide has a molecular weight of 383.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide is sourced from PubChem (CID 104630304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).