1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone

C14H10BrCl2NO — CID 116591699

IUPAC1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESNc1cc(Br)ccc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c15-9-2-3-10(13(18)7-9)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6,18H2
InChIKeyAQFVCDTXMBOWFZ-UHFFFAOYSA-N
MW359.05 g/mol
LogP4.76
Rot. Bonds3

About 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone

1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 116591699) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID116591699
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESNc1cc(Br)ccc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2NO/c15-9-2-3-10(13(18)7-9)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6,18H2
InChIKeyAQFVCDTXMBOWFZ-UHFFFAOYSA-N
XLogP4.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701
N-(2-amino-4,6-dibromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63046307
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
1-(2-amino-4-bromophenyl)butan-1-one
CID 116591729
1-(2-amino-4-bromophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116591953
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone (CID 116591699) is 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone is Nc1cc(Br)ccc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is AQFVCDTXMBOWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-9-2-3-10(13(18)7-9)14(19)6-8-1-4-11(16)12(17)5-8/h1-5,7H,6,18H2.
What are the key properties of 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone?
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 359.05 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116591699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).