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

C14H14BrFN2O2 — CID 47004249

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)COc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C14H14BrFN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(16)6-11(12)15/h4-6,9H,2-3,7H2,1H3,(H,18,19)
InChIKeyCZYXBDSJLCIIMC-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.78
Rot. Bonds5

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

2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 47004249) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID47004249
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)COc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C14H14BrFN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(16)6-11(12)15/h4-6,9H,2-3,7H2,1H3,(H,18,19)
InChIKeyCZYXBDSJLCIIMC-UHFFFAOYSA-N
XLogP2.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859290
N-(1-cyano-1-cyclopropylethyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771874
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
methyl 2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 94630899
N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058585
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436370
2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7203447
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 47004249) is 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C#N)(NC(=O)COc1ccc(F)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is CZYXBDSJLCIIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(16)6-11(12)15/h4-6,9H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 341.18 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 47004249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).