2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide

C12H16BrFN2O2 — CID 43379393

IUPAC2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(N)cc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-3-16(4-2)11(17)7-18-12-9(13)5-8(14)6-10(12)15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyBRZGNIXSOYQFIE-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide

2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide (PubChem CID 43379393) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
PubChem CID43379393
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(N)cc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-3-16(4-2)11(17)7-18-12-9(13)5-8(14)6-10(12)15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyBRZGNIXSOYQFIE-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
CID 43379208
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
CID 75520372
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 62622876
3-bromo-5-fluoro-2-(2-propylsulfonylethoxy)aniline
CID 106721656
ethyl 2-[ethyl-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]acetate
CID 170570488

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide (CID 43379393) is 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1c(N)cc(F)cc1Br.
What is the InChIKey of 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide?
The InChIKey is BRZGNIXSOYQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-3-16(4-2)11(17)7-18-12-9(13)5-8(14)6-10(12)15/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide?
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide has a molecular weight of 319.17 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 43379393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).