2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide

C13H17BrFNO2 — CID 78766268

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyBLIPKVIOJDLGEQ-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 78766268) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
PubChem CID78766268
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyBLIPKVIOJDLGEQ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
CID 55521356

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide (CID 78766268) is 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is BLIPKVIOJDLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-9(2)5-6-16-13(17)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 318.19 g/mol, XLogP of 3.13, 6 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 78766268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).