3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide

C10H12BrFN2O2 — CID 62326726

IUPAC3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2/c1-14-9(15)2-3-16-10-7(11)4-6(12)5-8(10)13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWQCCPNYPTSPELE-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.69
Rot. Bonds4

About 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide

3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide (PubChem CID 62326726) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
PubChem CID62326726
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2/c1-14-9(15)2-3-16-10-7(11)4-6(12)5-8(10)13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWQCCPNYPTSPELE-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 62622876
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910242
3-bromo-5-fluoro-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408888
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
CID 43379393
3-bromo-5-fluoro-2-(2-propylsulfonylethoxy)aniline
CID 106721656
3-bromo-2-[(E)-but-2-enoxy]-5-fluoroaniline
CID 107898603
3-bromo-5-fluoro-2-(4,4,4-trifluorobutoxy)aniline
CID 113326202
3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 83232920
3-(5-amino-2-bromophenoxy)-N-methylpropanamide
CID 103008818

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide (CID 62326726) is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide is CNC(=O)CCOc1c(N)cc(F)cc1Br.
What is the InChIKey of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide?
The InChIKey is WQCCPNYPTSPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c1-14-9(15)2-3-16-10-7(11)4-6(12)5-8(10)13/h4-5H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide?
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide has a molecular weight of 291.12 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 62326726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).