4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide

C19H20F4N4O — CID 11741442

IUPAC4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c20-15-6-4-14(5-7-15)18(28)24-8-9-26-10-12-27(13-11-26)17-3-1-2-16(25-17)19(21,22)23/h1-7H,8-13H2,(H,24,28)
InChIKeyMFWKVQMVFJFMGC-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.79
Rot. Bonds5

About 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 11741442) has the molecular formula C19H20F4N4O and a molecular weight of 396.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
PubChem CID11741442
Molecular FormulaC19H20F4N4O
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC Name4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F4N4O/c20-15-6-4-14(5-7-15)18(28)24-8-9-26-10-12-27(13-11-26)17-3-1-2-16(25-17)19(21,22)23/h1-7H,8-13H2,(H,24,28)
InChIKeyMFWKVQMVFJFMGC-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide (CID 11741442) is 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is MFWKVQMVFJFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O/c20-15-6-4-14(5-7-15)18(28)24-8-9-26-10-12-27(13-11-26)17-3-1-2-16(25-17)19(21,22)23/h1-7H,8-13H2,(H,24,28).
What are the key properties of 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 396.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 11741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).