2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide

C13H15BrClNO3 — CID 119035834

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide
SMILESCCOC1CC1NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClNO3/c1-2-18-12-6-10(12)16-13(17)7-19-11-4-3-8(14)5-9(11)15/h3-5,10,12H,2,6-7H2,1H3,(H,16,17)
InChIKeyQICKVPZHCBWAHX-UHFFFAOYSA-N
MW348.62 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide (PubChem CID 119035834) has the molecular formula C13H15BrClNO3 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide
PubChem CID119035834
Molecular FormulaC13H15BrClNO3
Molecular Weight348.62 g/mol
Exact Mass346.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide
SMILESCCOC1CC1NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClNO3/c1-2-18-12-6-10(12)16-13(17)7-19-11-4-3-8(14)5-9(11)15/h3-5,10,12H,2,6-7H2,1H3,(H,16,17)
InChIKeyQICKVPZHCBWAHX-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
CID 79194704
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
CID 54792058
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
ethyl 4-[2-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932707
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide (CID 119035834) is 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide is CCOC1CC1NC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide?
The InChIKey is QICKVPZHCBWAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO3/c1-2-18-12-6-10(12)16-13(17)7-19-11-4-3-8(14)5-9(11)15/h3-5,10,12H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide has a molecular weight of 348.62 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(2-ethoxycyclopropyl)acetamide is sourced from PubChem (CID 119035834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).