2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide

C15H20ClFN2O — CID 62046898

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)C1CCCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(11-4-3-7-18-9-11)19-15(20)8-12-13(16)5-2-6-14(12)17/h2,5-6,10-11,18H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyVSHXNKLMQQLSHH-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide (PubChem CID 62046898) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
PubChem CID62046898
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)C1CCCNC1
InChIInChI=1S/C15H20ClFN2O/c1-10(11-4-3-7-18-9-11)19-15(20)8-12-13(16)5-2-6-14(12)17/h2,5-6,10-11,18H,3-4,7-9H2,1H3,(H,19,20)
InChIKeyVSHXNKLMQQLSHH-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
2-(3-methyl-2-pyridinyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 107148388
N-(1-piperidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119474100
N-(1-piperidin-3-ylethyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119474131
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide (CID 62046898) is 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)C1CCCNC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide?
The InChIKey is VSHXNKLMQQLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(11-4-3-7-18-9-11)19-15(20)8-12-13(16)5-2-6-14(12)17/h2,5-6,10-11,18H,3-4,7-9H2,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide has a molecular weight of 298.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 62046898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).