2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

C16H14ClFN2O2 — CID 71239187

IUPAC2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O2/c17-13-9-11(18)4-3-10(13)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
InChIKeyTWLNVHVJSQTWIN-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (PubChem CID 71239187) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
PubChem CID71239187
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O2/c17-13-9-11(18)4-3-10(13)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21)
InChIKeyTWLNVHVJSQTWIN-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide with MolForge

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Related Compounds

Nlx204; nlx204
CID 132256735
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239567
N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
CID 78153059
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-methyl-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256799
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
US10710967, Example 157
CID 155883376
US10710967, Example 178
CID 155883397
US10710967, Example 278
CID 155883494
5-(4-chlorophenyl)-N-((2-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)nicotinamide
CID 16040329
N-(2-chlorobenzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487802
N-[(2S,3R)-4-[[(4S)-6-chlorospiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 71460783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (CID 71239187) is 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is O=C(Cc1ccc(F)cc1Cl)NC1CCOc2ncccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The InChIKey is TWLNVHVJSQTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-9-11(18)4-3-10(13)8-15(21)20-14-5-7-22-16-12(14)2-1-6-19-16/h1-4,6,9,14H,5,7-8H2,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide has a molecular weight of 320.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is sourced from PubChem (CID 71239187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).