4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide

C11H12BrF2NO2 — CID 176959820

IUPAC4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
SMILESCNC(=O)C(F)CCOc1cccc(Br)c1F
InChIInChI=1S/C11H12BrF2NO2/c1-15-11(16)8(13)5-6-17-9-4-2-3-7(12)10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyGIVMXGJPRMFBSE-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.44
Rot. Bonds5

About 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide

4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide (PubChem CID 176959820) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
PubChem CID176959820
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC Name4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
SMILESCNC(=O)C(F)CCOc1cccc(Br)c1F
InChIInChI=1S/C11H12BrF2NO2/c1-15-11(16)8(13)5-6-17-9-4-2-3-7(12)10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyGIVMXGJPRMFBSE-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-2-fluorophenoxy)-2-fluoro-1-(4-fluorophenyl)butan-1-one;ethane
CID 176959818
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
CID 167882295
(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
CID 167539497
2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
CID 170912674
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
4-(2-bromophenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790503
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide?
The IUPAC name of 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide (CID 176959820) is 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide.
What is the SMILES notation for 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide?
The canonical SMILES for 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide is CNC(=O)C(F)CCOc1cccc(Br)c1F.
What is the InChIKey of 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide?
The InChIKey is GIVMXGJPRMFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c1-15-11(16)8(13)5-6-17-9-4-2-3-7(12)10(9)14/h2-4,8H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide?
4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide has a molecular weight of 308.12 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide is sourced from PubChem (CID 176959820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).