5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide

C18H16F4N4O2 — CID 136559252

IUPAC5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C18H16F4N4O2/c19-12-1-2-15(13(10-12)16(23)27)25-5-7-26(8-6-25)17(28)14-9-11(3-4-24-14)18(20,21)22/h1-4,9-10H,5-8H2,(H2,23,27)
InChIKeyPNCQFKQGPYOBCN-UHFFFAOYSA-N
MW396.34 g/mol
LogP2.30
Rot. Bonds3

About 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide

5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide (PubChem CID 136559252) has the molecular formula C18H16F4N4O2 and a molecular weight of 396.34 g/mol. Its IUPAC name is 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
PubChem CID136559252
Molecular FormulaC18H16F4N4O2
Molecular Weight396.34 g/mol
Exact Mass396.12
IUPAC Name5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C18H16F4N4O2/c19-12-1-2-15(13(10-12)16(23)27)25-5-7-26(8-6-25)17(28)14-9-11(3-4-24-14)18(20,21)22/h1-4,9-10H,5-8H2,(H2,23,27)
InChIKeyPNCQFKQGPYOBCN-UHFFFAOYSA-N
XLogP2.30
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]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

4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133469874
2-thiomorpholin-4-yl-5-(trifluoromethyl)benzamide
CID 152584418
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
5-fluoro-2-[4-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)piperazin-1-yl]benzamide
CID 166296242
[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9431923
[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 17432572
[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
CID 53493507
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 75457035
(5-methyl-1,2-thiazol-3-yl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 154857579
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
5-fluoro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 63673242

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide (CID 136559252) is 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide is NC(=O)c1cc(F)ccc1N1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is PNCQFKQGPYOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2/c19-12-1-2-15(13(10-12)16(23)27)25-5-7-26(8-6-25)17(28)14-9-11(3-4-24-14)18(20,21)22/h1-4,9-10H,5-8H2,(H2,23,27).
What are the key properties of 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide?
5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 396.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 136559252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).