N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O — CID 1267731

IUPACN-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-14(26)23-17-13-15(19(20,21)22)7-8-18(17)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyIQWJIFZMFQRBRZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.99
Rot. Bonds3

About N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide

N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1267731) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1267731
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20F3N3O/c1-14(26)23-17-13-15(19(20,21)22)7-8-18(17)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyIQWJIFZMFQRBRZ-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 1267731) is N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IQWJIFZMFQRBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-14(26)23-17-13-15(19(20,21)22)7-8-18(17)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).