2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

C17H13Cl2F3N2O2 — CID 71239541

IUPAC2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1c(Cl)cc(Cl)cc1C(F)(F)F)NC1CCOc2ncccc21
InChIInChI=1S/C17H13Cl2F3N2O2/c18-9-6-12(17(20,21)22)11(13(19)7-9)8-15(25)24-14-3-5-26-16-10(14)2-1-4-23-16/h1-2,4,6-7,14H,3,5,8H2,(H,24,25)
InChIKeyDIEUCPWLADBECV-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.59
Rot. Bonds3

About 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide

2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (PubChem CID 71239541) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
PubChem CID71239541
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
SMILESO=C(Cc1c(Cl)cc(Cl)cc1C(F)(F)F)NC1CCOc2ncccc21
InChIInChI=1S/C17H13Cl2F3N2O2/c18-9-6-12(17(20,21)22)11(13(19)7-9)8-15(25)24-14-3-5-26-16-10(14)2-1-4-23-16/h1-2,4,6-7,14H,3,5,8H2,(H,24,25)
InChIKeyDIEUCPWLADBECV-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
CID 71239321
N-(2,4-dichlorobenzyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 16725813
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
5-(4-chlorophenyl)-N-((2-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)nicotinamide
CID 16040329
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239164
2-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239185
2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239187
2-(2,4-dichlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239193
2-[2-chloro-3-(difluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239208
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
CID 71239211

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The IUPAC name of 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide (CID 71239541) is 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is O=C(Cc1c(Cl)cc(Cl)cc1C(F)(F)F)NC1CCOc2ncccc21.
What is the InChIKey of 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
The InChIKey is DIEUCPWLADBECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c18-9-6-12(17(20,21)22)11(13(19)7-9)8-15(25)24-14-3-5-26-16-10(14)2-1-4-23-16/h1-2,4,6-7,14H,3,5,8H2,(H,24,25).
What are the key properties of 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide?
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide has a molecular weight of 405.20 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide is sourced from PubChem (CID 71239541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).