(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone

C17H16BrClN2O — CID 1226372

IUPAC(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-13-6-7-16(19)15(12-13)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyKMGDFJMROBRWCG-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.06
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1226372) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1226372
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H16BrClN2O/c18-13-6-7-16(19)15(12-13)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyKMGDFJMROBRWCG-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 (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone (CID 1226372) is (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KMGDFJMROBRWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-13-6-7-16(19)15(12-13)17(22)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(4-phenylpiperazin-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 (5-bromo-2-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1226372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).