5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide

C19H16ClNO3 — CID 717159

IUPAC5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-21(14-7-3-2-4-8-14)19(22)18-12-11-15(24-18)13-23-17-10-6-5-9-16(17)20/h2-12H,13H2,1H3
InChIKeyAUSQFGIOJWIZPY-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.79
Rot. Bonds5

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

5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide (PubChem CID 717159) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide
PubChem CID717159
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-21(14-7-3-2-4-8-14)19(22)18-12-11-15(24-18)13-23-17-10-6-5-9-16(17)20/h2-12H,13H2,1H3
InChIKeyAUSQFGIOJWIZPY-UHFFFAOYSA-N
XLogP4.79
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide (CID 717159) is 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide is CN(C(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide?
The InChIKey is AUSQFGIOJWIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-21(14-7-3-2-4-8-14)19(22)18-12-11-15(24-18)13-23-17-10-6-5-9-16(17)20/h2-12H,13H2,1H3.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-methyl-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 717159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).