[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C20H16ClF4NO2 — CID 46906132

IUPAC[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H16ClF4NO2/c21-17-6-3-14(11-16(17)20(23,24)25)19(28)26-9-7-13(8-10-26)18(27)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2
InChIKeyDJWSLZKGGVGTIR-UHFFFAOYSA-N
MW413.80 g/mol
LogP5.23
Rot. Bonds3

About [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46906132) has the molecular formula C20H16ClF4NO2 and a molecular weight of 413.80 g/mol. Its IUPAC name is [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46906132
Molecular FormulaC20H16ClF4NO2
Molecular Weight413.80 g/mol
Exact Mass413.08
IUPAC Name[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H16ClF4NO2/c21-17-6-3-14(11-16(17)20(23,24)25)19(28)26-9-7-13(8-10-26)18(27)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2
InChIKeyDJWSLZKGGVGTIR-UHFFFAOYSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.80
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46906132) is [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is DJWSLZKGGVGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4NO2/c21-17-6-3-14(11-16(17)20(23,24)25)19(28)26-9-7-13(8-10-26)18(27)12-1-4-15(22)5-2-12/h1-6,11,13H,7-10H2.
What are the key properties of [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 413.80 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46906132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).