5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

C18H15ClN2O3 — CID 725940

IUPAC5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyAGMLPBPACSPWIL-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.47
Rot. Bonds5

About 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide

5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 725940) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID725940
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyAGMLPBPACSPWIL-UHFFFAOYSA-N
XLogP4.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide (CID 725940) is 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is AGMLPBPACSPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 725940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).