3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one

C21H17Br2NO — CID 15731336

IUPAC3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
SMILESO=C(CC(Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H17Br2NO/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)24-19-12-10-18(23)11-13-19/h1-13,20,24H,14H2
InChIKeyMEZFEGPCIOVUMB-UHFFFAOYSA-N
MW459.18 g/mol
LogP6.64
Rot. Bonds6

About 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one

3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one (PubChem CID 15731336) has the molecular formula C21H17Br2NO and a molecular weight of 459.18 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
PubChem CID15731336
Molecular FormulaC21H17Br2NO
Molecular Weight459.18 g/mol
Exact Mass456.97
IUPAC Name3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
SMILESO=C(CC(Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H17Br2NO/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)24-19-12-10-18(23)11-13-19/h1-13,20,24H,14H2
InChIKeyMEZFEGPCIOVUMB-UHFFFAOYSA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.18
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one 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-(4-bromophenyl)-3-(4-iodoanilino)-3-phenylpropan-1-one
CID 132593966
4-[[(1S)-1-(4-bromophenyl)-3-oxo-3-phenylpropyl]amino]benzoate
CID 2196865
3-(4-bromophenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 17384303
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(3-bromoanilino)-1-(4-fluorophenyl)-3-phenylpropan-1-one
CID 2975163
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one?
The IUPAC name of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one (CID 15731336) is 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one is O=C(CC(Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one?
The InChIKey is MEZFEGPCIOVUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2NO/c22-17-8-6-16(7-9-17)21(25)14-20(15-4-2-1-3-5-15)24-19-12-10-18(23)11-13-19/h1-13,20,24H,14H2.
What are the key properties of 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one?
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one has a molecular weight of 459.18 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 15731336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).