3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide

C19H25Cl2FN2O2 — CID 59455790

IUPAC3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide
SMILESCC(C)(C)C(=O)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H25Cl2FN2O2/c1-18(2,3)16(25)11-24-6-4-19(22,5-7-24)12-23-17(26)13-8-14(20)10-15(21)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,23,26)
InChIKeyRVZJYINVWFXITQ-UHFFFAOYSA-N
MW403.33 g/mol
LogP4.14
Rot. Bonds5

About 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide (PubChem CID 59455790) has the molecular formula C19H25Cl2FN2O2 and a molecular weight of 403.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide
PubChem CID59455790
Molecular FormulaC19H25Cl2FN2O2
Molecular Weight403.33 g/mol
Exact Mass402.13
IUPAC Name3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide
SMILESCC(C)(C)C(=O)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H25Cl2FN2O2/c1-18(2,3)16(25)11-24-6-4-19(22,5-7-24)12-23-17(26)13-8-14(20)10-15(21)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,23,26)
InChIKeyRVZJYINVWFXITQ-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 54.14
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-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide (CID 59455790) is 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide is CC(C)(C)C(=O)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The InChIKey is RVZJYINVWFXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2FN2O2/c1-18(2,3)16(25)11-24-6-4-19(22,5-7-24)12-23-17(26)13-8-14(20)10-15(21)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,23,26).
What are the key properties of 3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide has a molecular weight of 403.33 g/mol, XLogP of 4.14, 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-[[1-(3,3-dimethyl-2-oxobutyl)-4-fluoropiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 59455790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).