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

C17H14ClF3N2O2 — CID 71239550

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C17H14ClF3N2O2/c18-15-10(3-1-5-12(15)17(19,20)21)9-14(24)23-13-6-8-25-16-11(13)4-2-7-22-16/h1-5,7,13H,6,8-9H2,(H,23,24)
InChIKeyCHNTZBLFCZMPLX-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.94
Rot. Bonds3

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

2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (PubChem CID 71239550) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
PubChem CID71239550
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1CCOc2ncccc21
InChIInChI=1S/C17H14ClF3N2O2/c18-15-10(3-1-5-12(15)17(19,20)21)9-14(24)23-13-6-8-25-16-11(13)4-2-7-22-16/h1-5,7,13H,6,8-9H2,(H,23,24)
InChIKeyCHNTZBLFCZMPLX-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (CID 71239550) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is O=C(Cc1cccc(C(F)(F)F)c1Cl)NC1CCOc2ncccc21.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The InChIKey is CHNTZBLFCZMPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-15-10(3-1-5-12(15)17(19,20)21)9-14(24)23-13-6-8-25-16-11(13)4-2-7-22-16/h1-5,7,13H,6,8-9H2,(H,23,24).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide has a molecular weight of 370.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is sourced from PubChem (CID 71239550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).