3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide

C26H20F9N3O — CID 44547277

IUPAC3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H20F9N3O/c27-24(28,29)17-3-1-5-20(13-17)36-23(39)16-11-19(26(33,34)35)15-22(12-16)38-9-7-37(8-10-38)21-6-2-4-18(14-21)25(30,31)32/h1-6,11-15H,7-10H2,(H,36,39)
InChIKeyZXPHRZLGYUNAOW-UHFFFAOYSA-N
MW561.45 g/mol
LogP7.32
Rot. Bonds4

About 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide

3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide (PubChem CID 44547277) has the molecular formula C26H20F9N3O and a molecular weight of 561.45 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
PubChem CID44547277
Molecular FormulaC26H20F9N3O
Molecular Weight561.45 g/mol
Exact Mass561.15
IUPAC Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H20F9N3O/c27-24(28,29)17-3-1-5-20(13-17)36-23(39)16-11-19(26(33,34)35)15-22(12-16)38-9-7-37(8-10-38)21-6-2-4-18(14-21)25(30,31)32/h1-6,11-15H,7-10H2,(H,36,39)
InChIKeyZXPHRZLGYUNAOW-UHFFFAOYSA-N
XLogP7.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.45
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44547575
3-methylsulfanyl-5-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 123536467
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
3-tert-butyl-N-(3-fluorophenyl)-5-piperazin-1-ylbenzamide
CID 70645858
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide (CID 44547277) is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide?
The InChIKey is ZXPHRZLGYUNAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F9N3O/c27-24(28,29)17-3-1-5-20(13-17)36-23(39)16-11-19(26(33,34)35)15-22(12-16)38-9-7-37(8-10-38)21-6-2-4-18(14-21)25(30,31)32/h1-6,11-15H,7-10H2,(H,36,39).
What are the key properties of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide?
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide has a molecular weight of 561.45 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 44547277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).