4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide

C12H15BrFNO2 — CID 83232033

IUPAC4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-15(2)12(16)4-3-7-17-9-5-6-11(14)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXOYQVZKPMFVPIS-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.84
Rot. Bonds5

About 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide

4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide (PubChem CID 83232033) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
PubChem CID83232033
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-15(2)12(16)4-3-7-17-9-5-6-11(14)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXOYQVZKPMFVPIS-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 83232920
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024
3-[2-(3-bromo-4-fluorophenoxy)ethoxy]benzoic acid
CID 83231309
3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
CID 176703397
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide (CID 83232033) is 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide?
The InChIKey is XOYQVZKPMFVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-15(2)12(16)4-3-7-17-9-5-6-11(14)10(13)8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide?
4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide has a molecular weight of 304.16 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide is sourced from PubChem (CID 83232033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).