N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C18H18F3N3O — CID 27150835

IUPACN-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C18H18F3N3O/c19-13-4-1-2-7-16(13)24-10-8-23(9-11-24)12-17(25)22-18-14(20)5-3-6-15(18)21/h1-7H,8-12H2,(H,22,25)
InChIKeySMCVCZYQFKCIAY-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.86
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 27150835) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID27150835
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2F)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C18H18F3N3O/c19-13-4-1-2-7-16(13)24-10-8-23(9-11-24)12-17(25)22-18-14(20)5-3-6-15(18)21/h1-7H,8-12H2,(H,22,25)
InChIKeySMCVCZYQFKCIAY-UHFFFAOYSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 31628376
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
methyl 3-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 2042049
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 27150835) is N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2F)CC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is SMCVCZYQFKCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-13-4-1-2-7-16(13)24-10-8-23(9-11-24)12-17(25)22-18-14(20)5-3-6-15(18)21/h1-7H,8-12H2,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 349.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).