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

C16H12ClF3N2O3 — CID 118588735

IUPAC2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)OC1COc2ncccc21
InChIInChI=1S/C16H12ClF3N2O3/c17-13-9(3-1-5-11(13)16(18,19)20)7-22-15(23)25-12-8-24-14-10(12)4-2-6-21-14/h1-6,12H,7-8H2,(H,22,23)
InChIKeyFCCYERBCHHBJOI-UHFFFAOYSA-N
MW372.73 g/mol
LogP4.11
Rot. Bonds3

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

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 118588735) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID118588735
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)OC1COc2ncccc21
InChIInChI=1S/C16H12ClF3N2O3/c17-13-9(3-1-5-11(13)16(18,19)20)7-22-15(23)25-12-8-24-14-10(12)4-2-6-21-14/h1-6,12H,7-8H2,(H,22,23)
InChIKeyFCCYERBCHHBJOI-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 54.11
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-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate (CID 118588735) is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1cccc(C(F)(F)F)c1Cl)OC1COc2ncccc21.
What is the InChIKey of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is FCCYERBCHHBJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-13-9(3-1-5-11(13)16(18,19)20)7-22-15(23)25-12-8-24-14-10(12)4-2-6-21-14/h1-6,12H,7-8H2,(H,22,23).
What are the key properties of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 372.73 g/mol, XLogP of 4.11, 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-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 118588735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).