1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone

C14H11Br2NO — CID 21406748

IUPAC1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2Br)c(N)c1
InChIInChI=1S/C14H11Br2NO/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(15)7-13(11)16/h2-7H,17H2,1H3
InChIKeyFVIXTNULOUXCDM-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.66
Rot. Bonds2

About 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone

1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone (PubChem CID 21406748) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
PubChem CID21406748
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2Br)c(N)c1
InChIInChI=1S/C14H11Br2NO/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(15)7-13(11)16/h2-7H,17H2,1H3
InChIKeyFVIXTNULOUXCDM-UHFFFAOYSA-N
XLogP4.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-4-(4-bromo-2-chlorophenyl)phenyl]ethanone
CID 21406784
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
CID 21406811
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
CID 21406743
1-[4-(4-bromo-2-chlorophenyl)-3-fluorophenyl]ethanone
CID 21406759
benzene;1-(4-bromophenyl)ethanone
CID 174710467
2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone (CID 21406748) is 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Br)cc2Br)c(N)c1.
What is the InChIKey of 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone?
The InChIKey is FVIXTNULOUXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(15)7-13(11)16/h2-7H,17H2,1H3.
What are the key properties of 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone?
1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone has a molecular weight of 369.06 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone is sourced from PubChem (CID 21406748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).