N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C14H19F2N3O2 — CID 60642566

IUPACN-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H19F2N3O2/c15-11-1-2-12(16)13(9-11)17-14(21)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10H2,(H,17,21)
InChIKeyXZRYFOMWYBHDIJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP0.51
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 60642566) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID60642566
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H19F2N3O2/c15-11-1-2-12(16)13(9-11)17-14(21)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10H2,(H,17,21)
InChIKeyXZRYFOMWYBHDIJ-UHFFFAOYSA-N
XLogP0.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 34915411
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
N-cyclopropyl-2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037820

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 60642566) is N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CCO)CC1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is XZRYFOMWYBHDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c15-11-1-2-12(16)13(9-11)17-14(21)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10H2,(H,17,21).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 299.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60642566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).