N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C17H17F2N3O3 — CID 3688258

IUPACN-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeySXGLIBRJSWBCRY-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.95
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 3688258) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID3688258
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeySXGLIBRJSWBCRY-UHFFFAOYSA-N
XLogP1.95
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 3688258) is N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is SXGLIBRJSWBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 349.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3688258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).