5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide

C20H19BrN2O4 — CID 17480140

About 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 17480140) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 17480140
• Molecular Formula: C20H19BrN2O4
• Molecular Weight: 431.29 g/mol
• Exact Mass: 430.05
• IUPAC Name: 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Br)o3)ccc2c1
• InChI: InChI=1S/C20H19BrN2O4/c1-23(19(24)11-22-20(25)17-7-8-18(21)27-17)12-13-3-4-15-10-16(26-2)6-5-14(15)9-13/h3-10H,11-12H2,1-2H3,(H,22,25)
• InChIKey: LQPGFAXGMNZXHG-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.29
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide (CID 17480140) is 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide is COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Br)o3)ccc2c1.

What is the InChIKey of 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is LQPGFAXGMNZXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-23(19(24)11-22-20(25)17-7-8-18(21)27-17)12-13-3-4-15-10-16(26-2)6-5-14(15)9-13/h3-10H,11-12H2,1-2H3,(H,22,25).

What are the key properties of 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide?

5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 17480140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).