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

C15H12ClFN2O3 — CID 118588836

IUPAC2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1COc2ncccc21
InChIInChI=1S/C15H12ClFN2O3/c16-12-6-10(17)4-3-9(12)7-19-15(20)22-13-8-21-14-11(13)2-1-5-18-14/h1-6,13H,7-8H2,(H,19,20)
InChIKeyMQYPZOBESFQHDZ-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.23
Rot. Bonds3

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

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 118588836) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID118588836
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1COc2ncccc21
InChIInChI=1S/C15H12ClFN2O3/c16-12-6-10(17)4-3-9(12)7-19-15(20)22-13-8-21-14-11(13)2-1-5-18-14/h1-6,13H,7-8H2,(H,19,20)
InChIKeyMQYPZOBESFQHDZ-UHFFFAOYSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-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-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate (CID 118588836) is 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)cc1Cl)OC1COc2ncccc21.
What is the InChIKey of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is MQYPZOBESFQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-12-6-10(17)4-3-9(12)7-19-15(20)22-13-8-21-14-11(13)2-1-5-18-14/h1-6,13H,7-8H2,(H,19,20).
What are the key properties of 2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 322.72 g/mol, XLogP of 3.23, 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-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 118588836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).