N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C17H18F2N4O — CID 3547487

IUPACN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N4O/c18-13-4-5-15(14(19)11-13)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyHXWMJCVKQZTZNF-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.12
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3547487) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3547487
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC NameN-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N4O/c18-13-4-5-15(14(19)11-13)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyHXWMJCVKQZTZNF-UHFFFAOYSA-N
XLogP2.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.12
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-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3547487) is N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is HXWMJCVKQZTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-13-4-5-15(14(19)11-13)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 332.35 g/mol, XLogP of 2.12, 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-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3547487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).