1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone

C14H11BrFNO2 — CID 104529391

IUPAC1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)c(Br)c2)cc1N
InChIInChI=1S/C14H11BrFNO2/c1-8(18)11-4-2-10(7-14(11)17)19-9-3-5-13(16)12(15)6-9/h2-7H,17H2,1H3
InChIKeyIDZXLJHJMAJZLN-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.17
Rot. Bonds3

About 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone

1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone (PubChem CID 104529391) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
PubChem CID104529391
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)c(Br)c2)cc1N
InChIInChI=1S/C14H11BrFNO2/c1-8(18)11-4-2-10(7-14(11)17)19-9-3-5-13(16)12(15)6-9/h2-7H,17H2,1H3
InChIKeyIDZXLJHJMAJZLN-UHFFFAOYSA-N
XLogP4.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.17
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

1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
(3-bromo-4-fluorophenyl) 2-methylpropanoate
CID 14985061
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone (CID 104529391) is 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(F)c(Br)c2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone?
The InChIKey is IDZXLJHJMAJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-8(18)11-4-2-10(7-14(11)17)19-9-3-5-13(16)12(15)6-9/h2-7H,17H2,1H3.
What are the key properties of 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone?
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone has a molecular weight of 324.15 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone is sourced from PubChem (CID 104529391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).