1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone

C15H13Br2NO2 — CID 116591939

IUPAC1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H13Br2NO2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8H,7,18H2,1H3
InChIKeyHXDKOZZYLWKVNK-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone

1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone (PubChem CID 116591939) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
PubChem CID116591939
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C15H13Br2NO2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8H,7,18H2,1H3
InChIKeyHXDKOZZYLWKVNK-UHFFFAOYSA-N
XLogP4.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.23
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-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 114964535
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone (CID 116591939) is 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The InChIKey is HXDKOZZYLWKVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8H,7,18H2,1H3.
What are the key properties of 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone has a molecular weight of 399.08 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 116591939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).