5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

C17H12ClFN2O3 — CID 19452895

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C17H12ClFN2O3/c18-14-9-11(19)1-3-15(14)23-10-13-2-4-16(24-13)17(22)21-12-5-7-20-8-6-12/h1-9H,10H2,(H,20,21,22)
InChIKeyRYWSHCTVFODAFR-UHFFFAOYSA-N
MW346.75 g/mol
LogP4.30
Rot. Bonds5

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (PubChem CID 19452895) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
PubChem CID19452895
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C17H12ClFN2O3/c18-14-9-11(19)1-3-15(14)23-10-13-2-4-16(24-13)17(22)21-12-5-7-20-8-6-12/h1-9H,10H2,(H,20,21,22)
InChIKeyRYWSHCTVFODAFR-UHFFFAOYSA-N
XLogP4.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (CID 19452895) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1ccncc1)c1ccc(COc2ccc(F)cc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is RYWSHCTVFODAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-14-9-11(19)1-3-15(14)23-10-13-2-4-16(24-13)17(22)21-12-5-7-20-8-6-12/h1-9H,10H2,(H,20,21,22).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 19452895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).