N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide

C17H23F2N3O2 — CID 113135507

IUPACN-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCCN1CCN(C(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-3-20-8-10-21(11-9-20)17(24)6-7-22(13(2)23)14-4-5-15(18)16(19)12-14/h4-5,12H,3,6-11H2,1-2H3
InChIKeySKFFIPXYROBMAR-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.87
Rot. Bonds5

About N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide

N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113135507) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113135507
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCCN1CCN(C(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-3-20-8-10-21(11-9-20)17(24)6-7-22(13(2)23)14-4-5-15(18)16(19)12-14/h4-5,12H,3,6-11H2,1-2H3
InChIKeySKFFIPXYROBMAR-UHFFFAOYSA-N
XLogP1.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113124481
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113128120
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132985
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113135507) is N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide is CCN1CCN(C(=O)CCN(C(C)=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is SKFFIPXYROBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-3-20-8-10-21(11-9-20)17(24)6-7-22(13(2)23)14-4-5-15(18)16(19)12-14/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113135507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).