2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

C15H18ClFN2O — CID 107487272

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCC1=CCNCC1
InChIInChI=1S/C15H18ClFN2O/c16-13-2-1-3-14(17)12(13)10-15(20)19-9-6-11-4-7-18-8-5-11/h1-4,18H,5-10H2,(H,19,20)
InChIKeyNDKLWELFIAWPSF-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107487272) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107487272
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCC1=CCNCC1
InChIInChI=1S/C15H18ClFN2O/c16-13-2-1-3-14(17)12(13)10-15(20)19-9-6-11-4-7-18-8-5-11/h1-4,18H,5-10H2,(H,19,20)
InChIKeyNDKLWELFIAWPSF-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917928
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
2-(3-chlorophenoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486794

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107487272) is 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCCC1=CCNCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is NDKLWELFIAWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-13-2-1-3-14(17)12(13)10-15(20)19-9-6-11-4-7-18-8-5-11/h1-4,18H,5-10H2,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide has a molecular weight of 296.77 g/mol, XLogP of 2.45, 5 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-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107487272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).