3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one

C25H18BrCl2NO — CID 132592634

IUPAC3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CC(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18BrCl2NO/c26-20-8-10-21(11-9-20)29-24(18-7-12-22(27)23(28)14-18)15-25(30)19-6-5-16-3-1-2-4-17(16)13-19/h1-14,24,29H,15H2
InChIKeyXBUBMOJYGJLIJY-UHFFFAOYSA-N
MW499.24 g/mol
LogP8.34
Rot. Bonds6

About 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one

3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 132592634) has the molecular formula C25H18BrCl2NO and a molecular weight of 499.24 g/mol. Its IUPAC name is 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one
PubChem CID132592634
Molecular FormulaC25H18BrCl2NO
Molecular Weight499.24 g/mol
Exact Mass496.99
IUPAC Name3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CC(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18BrCl2NO/c26-20-8-10-21(11-9-20)29-24(18-7-12-22(27)23(28)14-18)15-25(30)19-6-5-16-3-1-2-4-17(16)13-19/h1-14,24,29H,15H2
InChIKeyXBUBMOJYGJLIJY-UHFFFAOYSA-N
XLogP8.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.24
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-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

3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
3-(3,4-dichlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 132592182
3-(4-iodoanilino)-3-(4-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592552
(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
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520
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
1-(4-bromophenyl)-3-(4-iodoanilino)-3-phenylpropan-1-one
CID 132593966
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one (CID 132592634) is 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one is O=C(CC(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is XBUBMOJYGJLIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrCl2NO/c26-20-8-10-21(11-9-20)29-24(18-7-12-22(27)23(28)14-18)15-25(30)19-6-5-16-3-1-2-4-17(16)13-19/h1-14,24,29H,15H2.
What are the key properties of 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one?
3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 499.24 g/mol, XLogP of 8.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-3-(3,4-dichlorophenyl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 132592634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).