N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

C24H24Cl2N2O6 — CID 169127268

About N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 169127268) has the molecular formula C24H24Cl2N2O6 and a molecular weight of 507.37 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
• PubChem CID: 169127268
• Molecular Formula: C24H24Cl2N2O6
• Molecular Weight: 507.37 g/mol
• Exact Mass: 506.10
• IUPAC Name: N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
• SMILES: COCCN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NCc1c(Cl)cc(Cl)cc1OC
• InChI: InChI=1S/C24H24Cl2N2O6/c1-24(23(30)27-12-16-17(26)10-14(25)11-19(16)32-3)13-33-20-15-6-4-5-7-18(15)34-21(20)22(29)28(24)8-9-31-2/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,27,30)
• InChIKey: IMTNDZDUHAIMCG-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.37
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?

The IUPAC name of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 169127268) is N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

What is the SMILES notation for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?

The canonical SMILES for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is COCCN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NCc1c(Cl)cc(Cl)cc1OC.

What is the InChIKey of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?

The InChIKey is IMTNDZDUHAIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O6/c1-24(23(30)27-12-16-17(26)10-14(25)11-19(16)32-3)13-33-20-15-6-4-5-7-18(15)34-21(20)22(29)28(24)8-9-31-2/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,27,30).

What are the key properties of N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?

N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 507.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 169127268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).