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

C18H16ClFN2O2 — CID 660542

IUPAC(3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN2O2/c19-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2
InChIKeyOZLVYKOACIKHAZ-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.08
Rot. Bonds2

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

(3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 660542) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID660542
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name(3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN2O2/c19-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2
InChIKeyOZLVYKOACIKHAZ-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (CID 660542) is (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is OZLVYKOACIKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2.
What are the key properties of (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 346.79 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 660542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).