2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide

C11H14BrClN2O2 — CID 114162017

IUPAC2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2/c12-9-5-8(1-2-10(9)13)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16)
InChIKeyMTSIZKCCMBALRI-UHFFFAOYSA-N
MW321.60 g/mol
LogP1.69
Rot. Bonds7

About 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide

2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide (PubChem CID 114162017) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
PubChem CID114162017
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2/c12-9-5-8(1-2-10(9)13)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16)
InChIKeyMTSIZKCCMBALRI-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115904861
N'-[(3-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107998990
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
4-[(3-bromo-4-chlorophenyl)methylamino]butanoic acid
CID 83230166
2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
CID 106234983
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106236398

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide (CID 114162017) is 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is MTSIZKCCMBALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c12-9-5-8(1-2-10(9)13)6-15-3-4-17-7-11(14)16/h1-2,5,15H,3-4,6-7H2,(H2,14,16).
What are the key properties of 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide has a molecular weight of 321.60 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 114162017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).