N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide

C21H19ClFN3O2S — CID 43017589

IUPACN-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClFN3O2S/c22-15-4-1-2-6-17(15)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-14-16(23)5-3-7-18(14)29-19/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyUNCVKFMMNCHTAJ-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.09
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 43017589) has the molecular formula C21H19ClFN3O2S and a molecular weight of 431.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID43017589
Molecular FormulaC21H19ClFN3O2S
Molecular Weight431.92 g/mol
Exact Mass431.09
IUPAC NameN-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClFN3O2S/c22-15-4-1-2-6-17(15)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-14-16(23)5-3-7-18(14)29-19/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyUNCVKFMMNCHTAJ-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 43017589) is N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is UNCVKFMMNCHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2S/c22-15-4-1-2-6-17(15)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-14-16(23)5-3-7-18(14)29-19/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 431.92 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).