5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

C23H22Cl2N2O4 — CID 19415760

About 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 19415760) has the molecular formula C23H22Cl2N2O4 and a molecular weight of 461.35 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• PubChem CID: 19415760
• Molecular Formula: C23H22Cl2N2O4
• Molecular Weight: 461.35 g/mol
• Exact Mass: 460.10
• IUPAC Name: 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2cccc(Cl)c2Cl)o1
• InChI: InChI=1S/C23H22Cl2N2O4/c24-19-5-2-6-20(22(19)25)30-15-18-7-8-21(31-18)23(28)26-17-4-1-3-16(13-17)14-27-9-11-29-12-10-27/h1-8,13H,9-12,14-15H2,(H,26,28)
• InChIKey: SNDYJFZHYMCGPG-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.35
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 19415760) is 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2cccc(Cl)c2Cl)o1.

What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The InChIKey is SNDYJFZHYMCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4/c24-19-5-2-6-20(22(19)25)30-15-18-7-8-21(31-18)23(28)26-17-4-1-3-16(13-17)14-27-9-11-29-12-10-27/h1-8,13H,9-12,14-15H2,(H,26,28).

What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,3-dichlorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19415760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).