2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide

C14H18ClFN2O2 — CID 120557960

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O2/c1-9-7-17-5-4-12(9)18-14(19)8-20-13-3-2-10(16)6-11(13)15/h2-3,6,9,12,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyGREAVYKHNNVPOG-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120557960) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120557960
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O2/c1-9-7-17-5-4-12(9)18-14(19)8-20-13-3-2-10(16)6-11(13)15/h2-3,6,9,12,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyGREAVYKHNNVPOG-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661
2-(2-chloro-4-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103774298
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119455158
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide (CID 120557960) is 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is GREAVYKHNNVPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9-7-17-5-4-12(9)18-14(19)8-20-13-3-2-10(16)6-11(13)15/h2-3,6,9,12,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 300.76 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120557960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).