2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide

C15H14INO3 — CID 103526856

IUPAC2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C15H14INO3/c16-11-6-7-14(19)12(8-11)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20)/t13-/m1/s1
InChIKeyTVKYIMVUNVNPFB-CYBMUJFWSA-N
MW383.19 g/mol
LogP2.46
Rot. Bonds4

About 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide

2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide (PubChem CID 103526856) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
PubChem CID103526856
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Name2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cc(I)ccc1O
InChIInChI=1S/C15H14INO3/c16-11-6-7-14(19)12(8-11)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20)/t13-/m1/s1
InChIKeyTVKYIMVUNVNPFB-CYBMUJFWSA-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

N-[(1S)-2-hydroxy-1-phenylethyl]-2,3,5-triiodobenzamide
CID 107863447
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
CID 104630304
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide?
The IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide (CID 103526856) is 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide?
The canonical SMILES for 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide is O=C(N[C@H](CO)c1ccccc1)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide?
The InChIKey is TVKYIMVUNVNPFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14INO3/c16-11-6-7-14(19)12(8-11)15(20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18-19H,9H2,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide?
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-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 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide is sourced from PubChem (CID 103526856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).