2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate

C16H11Cl2F3N2O3 — CID 118588855

IUPAC2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1c(Cl)cc(Cl)cc1C(F)(F)F)OC1COc2ncccc21
InChIInChI=1S/C16H11Cl2F3N2O3/c17-8-4-11(16(19,20)21)10(12(18)5-8)6-23-15(24)26-13-7-25-14-9(13)2-1-3-22-14/h1-5,13H,6-7H2,(H,23,24)
InChIKeySEEYTOBGCVTTNM-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.77
Rot. Bonds3

About 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 118588855) has the molecular formula C16H11Cl2F3N2O3 and a molecular weight of 407.18 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID118588855
Molecular FormulaC16H11Cl2F3N2O3
Molecular Weight407.18 g/mol
Exact Mass406.01
IUPAC Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1c(Cl)cc(Cl)cc1C(F)(F)F)OC1COc2ncccc21
InChIInChI=1S/C16H11Cl2F3N2O3/c17-8-4-11(16(19,20)21)10(12(18)5-8)6-23-15(24)26-13-7-25-14-9(13)2-1-3-22-14/h1-5,13H,6-7H2,(H,23,24)
InChIKeySEEYTOBGCVTTNM-UHFFFAOYSA-N
XLogP4.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate (CID 118588855) is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1c(Cl)cc(Cl)cc1C(F)(F)F)OC1COc2ncccc21.
What is the InChIKey of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is SEEYTOBGCVTTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O3/c17-8-4-11(16(19,20)21)10(12(18)5-8)6-23-15(24)26-13-7-25-14-9(13)2-1-3-22-14/h1-5,13H,6-7H2,(H,23,24).
What are the key properties of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate?
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 407.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2,4-dichloro-6-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 118588855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).