2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide

C16H22ClFN2O2 — CID 119824506

IUPAC2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H22ClFN2O2/c1-2-9-20(12-5-7-19-8-6-12)16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12,19H,2,5-9,11H2,1H3
InChIKeyVAPDVBUUZOXYHP-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide

2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide (PubChem CID 119824506) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
PubChem CID119824506
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
SMILESCCCN(C(=O)COc1ccc(F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H22ClFN2O2/c1-2-9-20(12-5-7-19-8-6-12)16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12,19H,2,5-9,11H2,1H3
InChIKeyVAPDVBUUZOXYHP-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
4-(3,4-difluorophenyl)-4-oxo-N-piperidin-4-yl-N-propylbutanamide
CID 119824265

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide (CID 119824506) is 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide is CCCN(C(=O)COc1ccc(F)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide?
The InChIKey is VAPDVBUUZOXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-2-9-20(12-5-7-19-8-6-12)16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12,19H,2,5-9,11H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide?
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide has a molecular weight of 328.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide is sourced from PubChem (CID 119824506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).