1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one

C21H18BrNO — CID 602905

IUPAC1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
SMILESO=C(CCNc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c22-19-10-6-18(7-11-19)21(24)14-15-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h1-13,23H,14-15H2
InChIKeyQHWSQDSQGDRONJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.80
Rot. Bonds6

About 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one

1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one (PubChem CID 602905) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
PubChem CID602905
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
SMILESO=C(CCNc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H18BrNO/c22-19-10-6-18(7-11-19)21(24)14-15-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h1-13,23H,14-15H2
InChIKeyQHWSQDSQGDRONJ-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one (CID 602905) is 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one is O=C(CCNc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one?
The InChIKey is QHWSQDSQGDRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c22-19-10-6-18(7-11-19)21(24)14-15-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h1-13,23H,14-15H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one?
1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one has a molecular weight of 380.29 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one is sourced from PubChem (CID 602905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).