3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide

C10H11BrFNO2 — CID 83232920

IUPAC3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-13-10(14)4-5-15-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyOUUIXAPJGIFCES-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.10
Rot. Bonds4

About 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide

3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide (PubChem CID 83232920) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
PubChem CID83232920
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-13-10(14)4-5-15-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyOUUIXAPJGIFCES-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
CID 83232033
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
CID 83236273
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
3-[2-(3-bromo-4-fluorophenoxy)ethoxy]benzoic acid
CID 83231309
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide (CID 83232920) is 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide is CNC(=O)CCOc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide?
The InChIKey is OUUIXAPJGIFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-13-10(14)4-5-15-7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide?
3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide has a molecular weight of 276.11 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 83232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).