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

C15H16ClNO3 — CID 3157082

IUPAC5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClNO3/c1-2-9-17-15(18)14-8-7-13(20-14)10-19-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyUGJWWFAKNFFIMP-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.65
Rot. Bonds6

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

5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide (PubChem CID 3157082) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide
PubChem CID3157082
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H16ClNO3/c1-2-9-17-15(18)14-8-7-13(20-14)10-19-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyUGJWWFAKNFFIMP-UHFFFAOYSA-N
XLogP3.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide (CID 3157082) is 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
The InChIKey is UGJWWFAKNFFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-9-17-15(18)14-8-7-13(20-14)10-19-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 3157082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).