4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide

C23H28FN3O2 — CID 44962537

IUPAC4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
SMILESCCC(C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-2-21(18-6-4-3-5-7-18)23(29)27-16-14-26(15-17-27)13-12-25-22(28)19-8-10-20(24)11-9-19/h3-11,21H,2,12-17H2,1H3,(H,25,28)
InChIKeyLGFRWSWPZJXFIW-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.89
Rot. Bonds7

About 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 44962537) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID44962537
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
SMILESCCC(C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-2-21(18-6-4-3-5-7-18)23(29)27-16-14-26(15-17-27)13-12-25-22(28)19-8-10-20(24)11-9-19/h3-11,21H,2,12-17H2,1H3,(H,25,28)
InChIKeyLGFRWSWPZJXFIW-UHFFFAOYSA-N
XLogP2.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 43251729
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200156

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide (CID 44962537) is 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide is CCC(C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is LGFRWSWPZJXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-2-21(18-6-4-3-5-7-18)23(29)27-16-14-26(15-17-27)13-12-25-22(28)19-8-10-20(24)11-9-19/h3-11,21H,2,12-17H2,1H3,(H,25,28).
What are the key properties of 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 397.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44962537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).