1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone

C15H13Br2NO2 — CID 116582135

IUPAC1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(N)c(Br)c2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)10-3-4-13(18)11(16)8-10/h2-6,8H,7,18H2,1H3
InChIKeyGBGXSMACSJEWGP-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone

1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone (PubChem CID 116582135) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
PubChem CID116582135
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(N)c(Br)c2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)10-3-4-13(18)11(16)8-10/h2-6,8H,7,18H2,1H3
InChIKeyGBGXSMACSJEWGP-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-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-ethylbenzoate
CID 16525161
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone (CID 116582135) is 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(N)c(Br)c2)cc1Br.
What is the InChIKey of 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone?
The InChIKey is GBGXSMACSJEWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-20-15-5-2-9(6-12(15)17)7-14(19)10-3-4-13(18)11(16)8-10/h2-6,8H,7,18H2,1H3.
What are the key properties of 1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone?
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-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-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone is sourced from PubChem (CID 116582135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).