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

C14H18ClFN2O2 — CID 120602502

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)COc2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(16)7-12(13)15/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyVYVRHNXSOCUQST-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.11
Rot. Bonds4

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

2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120602502) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120602502
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)COc2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(16)7-12(13)15/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyVYVRHNXSOCUQST-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119455158
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
2-(2-chloro-4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631346
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
2-(2-chloro-4-fluorophenoxy)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103774298
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide (CID 120602502) is 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)COc2ccc(F)cc2Cl)CCN1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is VYVRHNXSOCUQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(16)7-12(13)15/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.11, 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-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120602502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).