5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide

C10H11BrINO2 — CID 83058588

IUPAC5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
SMILESC[C@H](O)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C10H11BrINO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyWGYYKFIAMYIUKN-LURJTMIESA-N
MW384.01 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide

5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide (PubChem CID 83058588) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
PubChem CID83058588
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC Name5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
SMILESC[C@H](O)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C10H11BrINO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyWGYYKFIAMYIUKN-LURJTMIESA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 52.16
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

3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
CID 113265778
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
5-bromo-N-(2-chloro-4-methylpentyl)-2-iodobenzamide
CID 114032738
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
2-[[(5-bromo-2-iodobenzoyl)amino]methyl]butanoic acid
CID 65219422
4-[(5-bromo-2-iodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153091
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 114033241
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide (CID 83058588) is 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide is C[C@H](O)CNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide?
The InChIKey is WGYYKFIAMYIUKN-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide?
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide has a molecular weight of 384.01 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide is sourced from PubChem (CID 83058588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).