2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide

C12H15BrFNO2 — CID 80964753

IUPAC2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-3-8(2)15-12(16)7-17-11-5-9(13)4-10(14)6-11/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyOWEKFTDRTRUCEG-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide

2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide (PubChem CID 80964753) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
PubChem CID80964753
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-3-8(2)15-12(16)7-17-11-5-9(13)4-10(14)6-11/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyOWEKFTDRTRUCEG-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 80964387
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide (CID 80964753) is 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide?
The InChIKey is OWEKFTDRTRUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-3-8(2)15-12(16)7-17-11-5-9(13)4-10(14)6-11/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide?
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide has a molecular weight of 304.16 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-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 80964753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).