N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C20H18F7N3O — CID 4177886

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7N3O/c21-15-1-3-17(4-2-15)30-7-5-29(6-8-30)12-18(31)28-16-10-13(19(22,23)24)9-14(11-16)20(25,26)27/h1-4,9-11H,5-8,12H2,(H,28,31)
InChIKeyBVPMHZWMFNDOBQ-UHFFFAOYSA-N
MW449.37 g/mol
LogP4.62
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 4177886) has the molecular formula C20H18F7N3O and a molecular weight of 449.37 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID4177886
Molecular FormulaC20H18F7N3O
Molecular Weight449.37 g/mol
Exact Mass449.13
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7N3O/c21-15-1-3-17(4-2-15)30-7-5-29(6-8-30)12-18(31)28-16-10-13(19(22,23)24)9-14(11-16)20(25,26)27/h1-4,9-11H,5-8,12H2,(H,28,31)
InChIKeyBVPMHZWMFNDOBQ-UHFFFAOYSA-N
XLogP4.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 4177886) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is BVPMHZWMFNDOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F7N3O/c21-15-1-3-17(4-2-15)30-7-5-29(6-8-30)12-18(31)28-16-10-13(19(22,23)24)9-14(11-16)20(25,26)27/h1-4,9-11H,5-8,12H2,(H,28,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 449.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 4177886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).