3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one

C24H24BrNO2 — CID 132593499

IUPAC3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H24BrNO2/c1-3-28-22-14-8-18(9-15-22)23(26-21-12-10-20(25)11-13-21)16-24(27)19-6-4-17(2)5-7-19/h4-15,23,26H,3,16H2,1-2H3
InChIKeyKODIJOSVSHHWOP-UHFFFAOYSA-N
MW438.37 g/mol
LogP6.58
Rot. Bonds8

About 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one

3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one (PubChem CID 132593499) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
PubChem CID132593499
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H24BrNO2/c1-3-28-22-14-8-18(9-15-22)23(26-21-12-10-20(25)11-13-21)16-24(27)19-6-4-17(2)5-7-19/h4-15,23,26H,3,16H2,1-2H3
InChIKeyKODIJOSVSHHWOP-UHFFFAOYSA-N
XLogP6.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 584014
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
CID 132593634
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
CID 2230393

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one (CID 132593499) is 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one is CCOc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is KODIJOSVSHHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO2/c1-3-28-22-14-8-18(9-15-22)23(26-21-12-10-20(25)11-13-21)16-24(27)19-6-4-17(2)5-7-19/h4-15,23,26H,3,16H2,1-2H3.
What are the key properties of 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one?
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 438.37 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 132593499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).