N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide

C13H18BrNO3 — CID 114032037

IUPACN-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C13H18BrNO3/c1-10(14)11-5-3-4-6-12(11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyONAYSLBCTIKXAQ-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide

N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 114032037) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
PubChem CID114032037
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C13H18BrNO3/c1-10(14)11-5-3-4-6-12(11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyONAYSLBCTIKXAQ-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 114315608
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
CID 114315609
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide (CID 114032037) is N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccccc1C(C)Br.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is ONAYSLBCTIKXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-10(14)11-5-3-4-6-12(11)15-13(16)9-18-8-7-17-2/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide?
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 316.20 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 114032037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).