3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide

C20H23Cl2F4N3O2 — CID 59455810

IUPAC3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(F)CCN(CC(=O)N2CCCC2C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H23Cl2F4N3O2/c21-14-8-13(9-15(22)10-14)18(31)27-12-19(23)3-6-28(7-4-19)11-17(30)29-5-1-2-16(29)20(24,25)26/h8-10,16H,1-7,11-12H2,(H,27,31)
InChIKeyGHIKRGGXVBGALF-UHFFFAOYSA-N
MW484.32 g/mol
LogP4.08
Rot. Bonds5

About 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 59455810) has the molecular formula C20H23Cl2F4N3O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID59455810
Molecular FormulaC20H23Cl2F4N3O2
Molecular Weight484.32 g/mol
Exact Mass483.11
IUPAC Name3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(F)CCN(CC(=O)N2CCCC2C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H23Cl2F4N3O2/c21-14-8-13(9-15(22)10-14)18(31)27-12-19(23)3-6-28(7-4-19)11-17(30)29-5-1-2-16(29)20(24,25)26/h8-10,16H,1-7,11-12H2,(H,27,31)
InChIKeyGHIKRGGXVBGALF-UHFFFAOYSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide (CID 59455810) is 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide is O=C(NCC1(F)CCN(CC(=O)N2CCCC2C(F)(F)F)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is GHIKRGGXVBGALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2F4N3O2/c21-14-8-13(9-15(22)10-14)18(31)27-12-19(23)3-6-28(7-4-19)11-17(30)29-5-1-2-16(29)20(24,25)26/h8-10,16H,1-7,11-12H2,(H,27,31).
What are the key properties of 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 484.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 59455810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).