3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide

C15H20ClFN2O4S — CID 47910340

IUPAC3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CCOc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFN2O4S/c1-24(21,22)19-7-2-3-12(10-19)18-15(20)6-8-23-14-5-4-11(17)9-13(14)16/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeyCALRYNSRIGESCD-UHFFFAOYSA-N
MW378.85 g/mol
LogP1.79
Rot. Bonds6

About 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide

3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide (PubChem CID 47910340) has the molecular formula C15H20ClFN2O4S and a molecular weight of 378.85 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
PubChem CID47910340
Molecular FormulaC15H20ClFN2O4S
Molecular Weight378.85 g/mol
Exact Mass378.08
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CCOc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFN2O4S/c1-24(21,22)19-7-2-3-12(10-19)18-15(20)6-8-23-14-5-4-11(17)9-13(14)16/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeyCALRYNSRIGESCD-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
4-(2,5-dimethylphenyl)-N-(1-methylsulfonylpiperidin-3-yl)-4-oxobutanamide
CID 47909955
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
3-(2-chloro-4-fluorophenoxy)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124612980
3-(2-chloro-4-fluorophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 55772570
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
3-(2-chloro-4-fluorophenoxy)-1-[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]propan-1-one
CID 166254986
2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805375
3-(2-chloro-4-fluorophenoxy)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55774343

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide (CID 47910340) is 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide is CS(=O)(=O)N1CCCC(NC(=O)CCOc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
The InChIKey is CALRYNSRIGESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O4S/c1-24(21,22)19-7-2-3-12(10-19)18-15(20)6-8-23-14-5-4-11(17)9-13(14)16/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide?
3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide has a molecular weight of 378.85 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)propanamide is sourced from PubChem (CID 47910340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).