(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H16ClFN2OS — CID 1326252

IUPAC(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16ClFN2OS/c20-17-15-3-1-2-4-16(15)25-18(17)19(24)23-11-9-22(10-12-23)14-7-5-13(21)6-8-14/h1-8H,9-12H2
InChIKeyXVKWMIZOXJNNMC-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.66
Rot. Bonds2

About (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1326252) has the molecular formula C19H16ClFN2OS and a molecular weight of 374.87 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1326252
Molecular FormulaC19H16ClFN2OS
Molecular Weight374.87 g/mol
Exact Mass374.07
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16ClFN2OS/c20-17-15-3-1-2-4-16(15)25-18(17)19(24)23-11-9-22(10-12-23)14-7-5-13(21)6-8-14/h1-8H,9-12H2
InChIKeyXVKWMIZOXJNNMC-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 1326252) is (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XVKWMIZOXJNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS/c20-17-15-3-1-2-4-16(15)25-18(17)19(24)23-11-9-22(10-12-23)14-7-5-13(21)6-8-14/h1-8H,9-12H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 374.87 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1326252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).