(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

C19H16ClFN2OS — CID 2139584

IUPAC(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H16ClFN2OS/c20-17-15-7-6-13(21)12-16(15)25-18(17)19(24)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyQUHAGFXUEAOZFL-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.66
Rot. Bonds2

About (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2139584) has the molecular formula C19H16ClFN2OS and a molecular weight of 374.87 g/mol. Its IUPAC name is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2139584
Molecular FormulaC19H16ClFN2OS
Molecular Weight374.87 g/mol
Exact Mass374.07
IUPAC Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H16ClFN2OS/c20-17-15-7-6-13(21)12-16(15)25-18(17)19(24)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKeyQUHAGFXUEAOZFL-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-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 2139584) is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QUHAGFXUEAOZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS/c20-17-15-7-6-13(21)12-16(15)25-18(17)19(24)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2.
What are the key properties of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-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-6-fluoro-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2139584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).