N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide

C10H11BrINO2 — CID 107732592

IUPACN-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C10H11BrINO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyOGDCSHLTXRIMBI-UHFFFAOYSA-N
MW384.01 g/mol
LogP2.46
Rot. Bonds3

About N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide

N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide (PubChem CID 107732592) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
PubChem CID107732592
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC NameN-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
SMILESCN(CCBr)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C10H11BrINO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3
InChIKeyOGDCSHLTXRIMBI-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
CID 107732739
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide (CID 107732592) is N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide is CN(CCBr)C(=O)c1cc(I)ccc1O.
What is the InChIKey of N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide?
The InChIKey is OGDCSHLTXRIMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-13(5-4-11)10(15)8-6-7(12)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide?
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide has a molecular weight of 384.01 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide is sourced from PubChem (CID 107732592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).