2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide

C13H15BrFNO2 — CID 47113835

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C13H15BrFNO2/c1-8(9-2-3-9)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRVCJOOSOFQVYGH-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide (PubChem CID 47113835) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
PubChem CID47113835
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1F)C1CC1
InChIInChI=1S/C13H15BrFNO2/c1-8(9-2-3-9)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyRVCJOOSOFQVYGH-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 42970246
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 55325883
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]hexanoic acid
CID 107144003
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 27716942
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide (CID 47113835) is 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide is CC(NC(=O)COc1ccc(Br)cc1F)C1CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide?
The InChIKey is RVCJOOSOFQVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-8(9-2-3-9)16-13(17)7-18-12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide has a molecular weight of 316.17 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 47113835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).