(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate

C16H13Cl2FN2O3 — CID 118588748

IUPAC(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)OC1(F)COc2ncccc21
InChIInChI=1S/C16H13Cl2FN2O3/c1-9-5-10(17)6-13(18)11(9)7-21-15(22)24-16(19)8-23-14-12(16)3-2-4-20-14/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyDXSQZKQEWPJRMP-UHFFFAOYSA-N
MW371.20 g/mol
LogP4.14
Rot. Bonds3

About (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate

(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate (PubChem CID 118588748) has the molecular formula C16H13Cl2FN2O3 and a molecular weight of 371.20 g/mol. Its IUPAC name is (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate
PubChem CID118588748
Molecular FormulaC16H13Cl2FN2O3
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)OC1(F)COc2ncccc21
InChIInChI=1S/C16H13Cl2FN2O3/c1-9-5-10(17)6-13(18)11(9)7-21-15(22)24-16(19)8-23-14-12(16)3-2-4-20-14/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyDXSQZKQEWPJRMP-UHFFFAOYSA-N
XLogP4.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate?
The IUPAC name of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate (CID 118588748) is (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate.
What is the SMILES notation for (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate?
The canonical SMILES for (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate is Cc1cc(Cl)cc(Cl)c1CNC(=O)OC1(F)COc2ncccc21.
What is the InChIKey of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate?
The InChIKey is DXSQZKQEWPJRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3/c1-9-5-10(17)6-13(18)11(9)7-21-15(22)24-16(19)8-23-14-12(16)3-2-4-20-14/h2-6H,7-8H2,1H3,(H,21,22).
What are the key properties of (3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate?
(3-fluoro-2H-furo[2,3-b]pyridin-3-yl) N-[(2,4-dichloro-6-methylphenyl)methyl]carbamate has a molecular weight of 371.20 g/mol, XLogP of 4.14, 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-[(2,4-dichloro-6-methylphenyl)methyl]carbamate is sourced from PubChem (CID 118588748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).