(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C17H16BrClN2O — CID 1068507

IUPAC(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-16-7-2-1-6-15(16)17(22)21-10-8-20(9-11-21)14-5-3-4-13(19)12-14/h1-7,12H,8-11H2
InChIKeyADPYVLLVGSEUGB-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.06
Rot. Bonds2

About (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1068507) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1068507
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-16-7-2-1-6-15(16)17(22)21-10-8-20(9-11-21)14-5-3-4-13(19)12-14/h1-7,12H,8-11H2
InChIKeyADPYVLLVGSEUGB-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1068507) is (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccccc1Br)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is ADPYVLLVGSEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-16-7-2-1-6-15(16)17(22)21-10-8-20(9-11-21)14-5-3-4-13(19)12-14/h1-7,12H,8-11H2.
What are the key properties of (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 379.69 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1068507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).