2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H24FN3O2 — CID 112994419

IUPAC2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16-4-2-7-19(12-16)24-8-10-25(11-9-24)21(27)15-23-20(26)14-17-5-3-6-18(22)13-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,26)
InChIKeyLBUFWABUFVAIGK-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 112994419) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID112994419
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-16-4-2-7-19(12-16)24-8-10-25(11-9-24)21(27)15-23-20(26)14-17-5-3-6-18(22)13-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,26)
InChIKeyLBUFWABUFVAIGK-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112996017
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113075538
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
3-fluoro-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057923

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 112994419) is 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is Cc1cccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is LBUFWABUFVAIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16-4-2-7-19(12-16)24-8-10-25(11-9-24)21(27)15-23-20(26)14-17-5-3-6-18(22)13-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 112994419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).