5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide

C17H12Cl2N2O3 — CID 1269642

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H12Cl2N2O3/c18-11-3-5-14(19)16(8-11)23-10-13-4-6-15(24-13)17(22)21-12-2-1-7-20-9-12/h1-9H,10H2,(H,21,22)
InChIKeyNYWOKWYZLCXSSJ-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.81
Rot. Bonds5

About 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide

5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide (PubChem CID 1269642) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
PubChem CID1269642
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H12Cl2N2O3/c18-11-3-5-14(19)16(8-11)23-10-13-4-6-15(24-13)17(22)21-12-2-1-7-20-9-12/h1-9H,10H2,(H,21,22)
InChIKeyNYWOKWYZLCXSSJ-UHFFFAOYSA-N
XLogP4.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide (CID 1269642) is 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide is O=C(Nc1cccnc1)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The InChIKey is NYWOKWYZLCXSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-11-3-5-14(19)16(8-11)23-10-13-4-6-15(24-13)17(22)21-12-2-1-7-20-9-12/h1-9H,10H2,(H,21,22).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-pyridin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 1269642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).