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

C20H24FN3O — CID 36846051

IUPACN-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-2-16-6-5-7-17(14-16)22-20(25)15-23-10-12-24(13-11-23)19-9-4-3-8-18(19)21/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyXDNNKGVAHGFQIG-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.15
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 36846051) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID36846051
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-2-16-6-5-7-17(14-16)22-20(25)15-23-10-12-24(13-11-23)19-9-4-3-8-18(19)21/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)
InChIKeyXDNNKGVAHGFQIG-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 131942245
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876207
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 5066273
methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 36846051) is N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is XDNNKGVAHGFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-16-6-5-7-17(14-16)22-20(25)15-23-10-12-24(13-11-23)19-9-4-3-8-18(19)21/h3-9,14H,2,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36846051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).