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

C18H25Cl2FN2O — CID 59455776

IUPAC3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide
SMILESCC(C)(C)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H25Cl2FN2O/c1-17(2,3)12-23-6-4-18(21,5-7-23)11-22-16(24)13-8-14(19)10-15(20)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyKAVISDURFBKKBN-UHFFFAOYSA-N
MW375.32 g/mol
LogP4.57
Rot. Bonds4

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

3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide (PubChem CID 59455776) has the molecular formula C18H25Cl2FN2O and a molecular weight of 375.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide
PubChem CID59455776
Molecular FormulaC18H25Cl2FN2O
Molecular Weight375.32 g/mol
Exact Mass374.13
IUPAC Name3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide
SMILESCC(C)(C)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H25Cl2FN2O/c1-17(2,3)12-23-6-4-18(21,5-7-23)11-22-16(24)13-8-14(19)10-15(20)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyKAVISDURFBKKBN-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide (CID 59455776) is 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide is CC(C)(C)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
The InChIKey is KAVISDURFBKKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2FN2O/c1-17(2,3)12-23-6-4-18(21,5-7-23)11-22-16(24)13-8-14(19)10-15(20)9-13/h8-10H,4-7,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide has a molecular weight of 375.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 59455776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).