1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one

C22H19BrClNO2 — CID 132592454

IUPAC1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-27-20-11-7-15(8-12-20)21(25-19-4-2-3-18(24)13-19)14-22(26)16-5-9-17(23)10-6-16/h2-13,21,25H,14H2,1H3
InChIKeyDHFMUNZBQHHATJ-UHFFFAOYSA-N
MW444.76 g/mol
LogP6.54
Rot. Bonds7

About 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one

1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 132592454) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
PubChem CID132592454
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-27-20-11-7-15(8-12-20)21(25-19-4-2-3-18(24)13-19)14-22(26)16-5-9-17(23)10-6-16/h2-13,21,25H,14H2,1H3
InChIKeyDHFMUNZBQHHATJ-UHFFFAOYSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.54
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
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 584014
3-(3-chloroanilino)-3-(4-ethoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 132592599
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112
(3R)-1-(4-bromophenyl)-3-(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-one
CID 26748265
(3S)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222887
(3R)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222888
(3S)-1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-methoxyphenyl)propan-1-one
CID 100817165
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one (CID 132592454) is 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(C(CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is DHFMUNZBQHHATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO2/c1-27-20-11-7-15(8-12-20)21(25-19-4-2-3-18(24)13-19)14-22(26)16-5-9-17(23)10-6-16/h2-13,21,25H,14H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one?
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 444.76 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 132592454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).