3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide

C18H23Cl2FN2O2 — CID 69301760

IUPAC3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(C(F)C2CCOC2)CCNCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H23Cl2FN2O2/c19-14-7-13(8-15(20)9-14)17(24)23-11-18(2-4-22-5-3-18)16(21)12-1-6-25-10-12/h7-9,12,16,22H,1-6,10-11H2,(H,23,24)
InChIKeyIXGBBVRNDFNFLI-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.47
Rot. Bonds5

About 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 69301760) has the molecular formula C18H23Cl2FN2O2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID69301760
Molecular FormulaC18H23Cl2FN2O2
Molecular Weight389.30 g/mol
Exact Mass388.11
IUPAC Name3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1(C(F)C2CCOC2)CCNCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H23Cl2FN2O2/c19-14-7-13(8-15(20)9-14)17(24)23-11-18(2-4-22-5-3-18)16(21)12-1-6-25-10-12/h7-9,12,16,22H,1-6,10-11H2,(H,23,24)
InChIKeyIXGBBVRNDFNFLI-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide (CID 69301760) is 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide is O=C(NCC1(C(F)C2CCOC2)CCNCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is IXGBBVRNDFNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2FN2O2/c19-14-7-13(8-15(20)9-14)17(24)23-11-18(2-4-22-5-3-18)16(21)12-1-6-25-10-12/h7-9,12,16,22H,1-6,10-11H2,(H,23,24).
What are the key properties of 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 389.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-[fluoro(oxolan-3-yl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 69301760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).