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

C14H11BrClNO2 — CID 104529281

IUPAC1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2Cl)cc1N
InChIInChI=1S/C14H11BrClNO2/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-7H,17H2,1H3
InChIKeyJDOAWMXFGFMNMO-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.68
Rot. Bonds3

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

1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone (PubChem CID 104529281) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
PubChem CID104529281
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2Cl)cc1N
InChIInChI=1S/C14H11BrClNO2/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-7H,17H2,1H3
InChIKeyJDOAWMXFGFMNMO-UHFFFAOYSA-N
XLogP4.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.68
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-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
4-(4-bromo-2-chlorophenoxy)benzene-1,2-diamine
CID 106748354
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
4-(4-bromo-2-chlorophenoxy)-2-methylbenzenecarbothioamide
CID 81278085
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone (CID 104529281) is 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(Br)cc2Cl)cc1N.
What is the InChIKey of 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The InChIKey is JDOAWMXFGFMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-7H,17H2,1H3.
What are the key properties of 1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone has a molecular weight of 340.60 g/mol, XLogP of 4.68, 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-(4-bromo-2-chlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 104529281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).