2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide

C14H18ClFN2O — CID 2712694

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-18-7-5-10(6-8-18)17-14(19)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3,(H,17,19)
InChIKeyKWQHELRMBXLOAL-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 2712694) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID2712694
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-18-7-5-10(6-8-18)17-14(19)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3,(H,17,19)
InChIKeyKWQHELRMBXLOAL-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 2712694) is 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is KWQHELRMBXLOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-18-7-5-10(6-8-18)17-14(19)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3,(H,17,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 284.76 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 2712694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).