4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide

C19H20F3N3O — CID 175822642

IUPAC4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2c(-c3ccc(C(N)=O)cc3)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O/c1-24-9-11-25(12-10-24)17-15(3-2-4-16(17)19(20,21)22)13-5-7-14(8-6-13)18(23)26/h2-8H,9-12H2,1H3,(H2,23,26)
InChIKeyRPFDBFQESAGISI-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.22
Rot. Bonds3

About 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide

4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 175822642) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide
PubChem CID175822642
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCN(c2c(-c3ccc(C(N)=O)cc3)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O/c1-24-9-11-25(12-10-24)17-15(3-2-4-16(17)19(20,21)22)13-5-7-14(8-6-13)18(23)26/h2-8H,9-12H2,1H3,(H2,23,26)
InChIKeyRPFDBFQESAGISI-UHFFFAOYSA-N
XLogP3.22
TPSA49.57 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide (CID 175822642) is 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide is CN1CCN(c2c(-c3ccc(C(N)=O)cc3)cccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RPFDBFQESAGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-24-9-11-25(12-10-24)17-15(3-2-4-16(17)19(20,21)22)13-5-7-14(8-6-13)18(23)26/h2-8H,9-12H2,1H3,(H2,23,26).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide?
4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175822642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).