3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one

C24H24BrNO2 — CID 584014

IUPAC3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CC(Nc2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24BrNO2/c1-3-17-4-6-19(7-5-17)24(27)16-23(18-8-14-22(28-2)15-9-18)26-21-12-10-20(25)11-13-21/h4-15,23,26H,3,16H2,1-2H3
InChIKeyDHGGERTVBWWLAZ-UHFFFAOYSA-N
MW438.37 g/mol
LogP6.45
Rot. Bonds8

About 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one

3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 584014) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID584014
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCc1ccc(C(=O)CC(Nc2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H24BrNO2/c1-3-17-4-6-19(7-5-17)24(27)16-23(18-8-14-22(28-2)15-9-18)26-21-12-10-20(25)11-13-21/h4-15,23,26H,3,16H2,1-2H3
InChIKeyDHGGERTVBWWLAZ-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
3-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-3-(4-ethylanilino)propan-1-one
CID 132592243
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-3-(4-ethylanilino)propan-1-one
CID 132592463
(3R)-1-(4-bromophenyl)-3-(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-one
CID 26748265
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
3-(4-ethylanilino)-1-(4-ethylphenyl)-3-(4-iodophenyl)propan-1-one
CID 4010443
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
(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-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593528

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one (CID 584014) is 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one is CCc1ccc(C(=O)CC(Nc2ccc(Br)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is DHGGERTVBWWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO2/c1-3-17-4-6-19(7-5-17)24(27)16-23(18-8-14-22(28-2)15-9-18)26-21-12-10-20(25)11-13-21/h4-15,23,26H,3,16H2,1-2H3.
What are the key properties of 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one?
3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 438.37 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 584014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).