4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide

C21H23F3N4O2 — CID 86969750

IUPAC4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H23F3N4O2/c1-14(20(30)26-18-5-3-2-4-17(18)21(22,23)24)27-10-12-28(13-11-27)16-8-6-15(7-9-16)19(25)29/h2-9,14H,10-13H2,1H3,(H2,25,29)(H,26,30)
InChIKeyZQFFTQDRRJLKJW-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.95
Rot. Bonds5

About 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide

4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide (PubChem CID 86969750) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
PubChem CID86969750
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C21H23F3N4O2/c1-14(20(30)26-18-5-3-2-4-17(18)21(22,23)24)27-10-12-28(13-11-27)16-8-6-15(7-9-16)19(25)29/h2-9,14H,10-13H2,1H3,(H2,25,29)(H,26,30)
InChIKeyZQFFTQDRRJLKJW-UHFFFAOYSA-N
XLogP2.95
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969614
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide (CID 86969750) is 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide is CC(C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide?
The InChIKey is ZQFFTQDRRJLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-14(20(30)26-18-5-3-2-4-17(18)21(22,23)24)27-10-12-28(13-11-27)16-8-6-15(7-9-16)19(25)29/h2-9,14H,10-13H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide?
4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).