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

C16H11ClF4N2O3 — CID 118588810

IUPAC(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)OC1(F)COc2ncccc21
InChIInChI=1S/C16H11ClF4N2O3/c17-12-9(3-1-4-10(12)16(19,20)21)7-23-14(24)26-15(18)8-25-13-11(15)5-2-6-22-13/h1-6H,7-8H2,(H,23,24)
InChIKeyDSUPFECWAVUWCU-UHFFFAOYSA-N
MW390.72 g/mol
LogP4.19
Rot. Bonds3

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

(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 118588810) has the molecular formula C16H11ClF4N2O3 and a molecular weight of 390.72 g/mol. Its IUPAC name is (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID118588810
Molecular FormulaC16H11ClF4N2O3
Molecular Weight390.72 g/mol
Exact Mass390.04
IUPAC Name(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)OC1(F)COc2ncccc21
InChIInChI=1S/C16H11ClF4N2O3/c17-12-9(3-1-4-10(12)16(19,20)21)7-23-14(24)26-15(18)8-25-13-11(15)5-2-6-22-13/h1-6H,7-8H2,(H,23,24)
InChIKeyDSUPFECWAVUWCU-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.72
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate (CID 118588810) is (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1cccc(C(F)(F)F)c1Cl)OC1(F)COc2ncccc21.
What is the InChIKey of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is DSUPFECWAVUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N2O3/c17-12-9(3-1-4-10(12)16(19,20)21)7-23-14(24)26-15(18)8-25-13-11(15)5-2-6-22-13/h1-6H,7-8H2,(H,23,24).
What are the key properties of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate?
(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 390.72 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 118588810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).