2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide

C12H16BrIN2O2 — CID 175686805

IUPAC2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)COc1cc(Br)cc(I)c1
InChIInChI=1S/C12H16BrIN2O2/c1-16(2)4-3-15-12(17)8-18-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyVMKRMWSQAIOHEV-UHFFFAOYSA-N
MW427.08 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide

2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 175686805) has the molecular formula C12H16BrIN2O2 and a molecular weight of 427.08 g/mol. Its IUPAC name is 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID175686805
Molecular FormulaC12H16BrIN2O2
Molecular Weight427.08 g/mol
Exact Mass425.94
IUPAC Name2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)COc1cc(Br)cc(I)c1
InChIInChI=1S/C12H16BrIN2O2/c1-16(2)4-3-15-12(17)8-18-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyVMKRMWSQAIOHEV-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.08
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-[2-(dimethylamino)ethyl]-2-quinoxalin-6-yloxyacetamide
CID 51362730
2-(3-bromo-5-iodophenoxy)-N-cyclobutylacetamide
CID 175686803
tert-butyl N-[2-(3-bromo-5-iodophenoxy)ethyl]carbamate
CID 175686769
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
2-(3-bromo-5-iodophenoxy)-N-(oxan-4-yl)acetamide
CID 175686810
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
(3-bromo-5-fluorophenyl) N-[2-(dimethylamino)ethyl]carbamate
CID 126518805
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
N-[2-(dimethylamino)ethyl]-2-(2-trimethylsilylphenoxy)acetamide
CID 14468375
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide (CID 175686805) is 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)COc1cc(Br)cc(I)c1.
What is the InChIKey of 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is VMKRMWSQAIOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O2/c1-16(2)4-3-15-12(17)8-18-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide?
2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 427.08 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 175686805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).