3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide

C20H22ClFN2O — CID 23723677

IUPAC3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H22ClFN2O/c1-23(20(25)15-7-4-8-17(21)12-15)18-9-5-11-24(14-18)13-16-6-2-3-10-19(16)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3
InChIKeyUPXKRJSRKTYZHJ-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.22
Rot. Bonds4

About 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide

3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide (PubChem CID 23723677) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
PubChem CID23723677
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H22ClFN2O/c1-23(20(25)15-7-4-8-17(21)12-15)18-9-5-11-24(14-18)13-16-6-2-3-10-19(16)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3
InChIKeyUPXKRJSRKTYZHJ-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide (CID 23723677) is 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide is CN(C(=O)c1cccc(Cl)c1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
The InChIKey is UPXKRJSRKTYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-23(20(25)15-7-4-8-17(21)12-15)18-9-5-11-24(14-18)13-16-6-2-3-10-19(16)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3.
What are the key properties of 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide?
3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide has a molecular weight of 360.86 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 23723677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).