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

C16H22ClFN2O — CID 17173612

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-20-9-6-12(7-10-20)19-16(21)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21)
InChIKeyIKQXXYQZHULCCO-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.01
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 17173612) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID17173612
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFN2O/c1-2-8-20-9-6-12(7-10-20)19-16(21)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21)
InChIKeyIKQXXYQZHULCCO-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.01
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-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide (CID 17173612) is 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is IKQXXYQZHULCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-8-20-9-6-12(7-10-20)19-16(21)11-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3,(H,19,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 312.82 g/mol, XLogP of 3.01, 5 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-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).