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

C15H11Cl2FN2O3 — CID 118588838

IUPAC2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1c(F)cc(Cl)cc1Cl)OC1COc2ncccc21
InChIInChI=1S/C15H11Cl2FN2O3/c16-8-4-11(17)10(12(18)5-8)6-20-15(21)23-13-7-22-14-9(13)2-1-3-19-14/h1-5,13H,6-7H2,(H,20,21)
InChIKeyJASXVEFGYMMTCQ-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.89
Rot. Bonds3

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

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate (PubChem CID 118588838) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate
PubChem CID118588838
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1c(F)cc(Cl)cc1Cl)OC1COc2ncccc21
InChIInChI=1S/C15H11Cl2FN2O3/c16-8-4-11(17)10(12(18)5-8)6-20-15(21)23-13-7-22-14-9(13)2-1-3-19-14/h1-5,13H,6-7H2,(H,20,21)
InChIKeyJASXVEFGYMMTCQ-UHFFFAOYSA-N
XLogP3.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)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 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate?
The IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate (CID 118588838) is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate?
The canonical SMILES for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate is O=C(NCc1c(F)cc(Cl)cc1Cl)OC1COc2ncccc21.
What is the InChIKey of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate?
The InChIKey is JASXVEFGYMMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c16-8-4-11(17)10(12(18)5-8)6-20-15(21)23-13-7-22-14-9(13)2-1-3-19-14/h1-5,13H,6-7H2,(H,20,21).
What are the key properties of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate?
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2,4-dichloro-6-fluorophenyl)methyl]carbamate has a molecular weight of 357.17 g/mol, XLogP of 3.89, 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-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 118588838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).