N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

C17H19ClFN3OS — CID 8720879

IUPACN-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccs2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H19ClFN3OS/c18-13-3-4-15(19)16(10-13)20-17(23)12-22-7-5-21(6-8-22)11-14-2-1-9-24-14/h1-4,9-10H,5-8,11-12H2,(H,20,23)
InChIKeyFHKSESITXAWUSB-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.30
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 8720879) has the molecular formula C17H19ClFN3OS and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID8720879
Molecular FormulaC17H19ClFN3OS
Molecular Weight367.88 g/mol
Exact Mass367.09
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccs2)CC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H19ClFN3OS/c18-13-3-4-15(19)16(10-13)20-17(23)12-22-7-5-21(6-8-22)11-14-2-1-9-24-14/h1-4,9-10H,5-8,11-12H2,(H,20,23)
InChIKeyFHKSESITXAWUSB-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720543
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 31041636
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24594716
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
N-(4-chloro-2-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258674
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
CID 131912914

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (CID 8720879) is N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccs2)CC1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is FHKSESITXAWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3OS/c18-13-3-4-15(19)16(10-13)20-17(23)12-22-7-5-21(6-8-22)11-14-2-1-9-24-14/h1-4,9-10H,5-8,11-12H2,(H,20,23).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 367.88 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8720879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).