N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide

C19H21F2N3O — CID 5062173

IUPACN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21F2N3O/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)14-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyUUHIRGWWTIPOAA-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.72
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 5062173) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID5062173
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21F2N3O/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)14-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyUUHIRGWWTIPOAA-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 5062173) is N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is UUHIRGWWTIPOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-7-5-15(6-8-16)13-23-9-11-24(12-10-23)14-19(25)22-18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 5062173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).