N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide

C24H20FN3O4 — CID 11669208

About N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide

N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide (PubChem CID 11669208) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
• PubChem CID: 11669208
• Molecular Formula: C24H20FN3O4
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.14
• IUPAC Name: N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide
• SMILES: COc1ccc2c(c1)C(c1ccccc1F)=NC(NC(=O)c1ccccc1OC)C(=O)N2
• InChI: InChI=1S/C24H20FN3O4/c1-31-14-11-12-19-17(13-14)21(15-7-3-5-9-18(15)25)27-22(24(30)26-19)28-23(29)16-8-4-6-10-20(16)32-2/h3-13,22H,1-2H3,(H,26,30)(H,28,29)
• InChIKey: GGKSWUUXRGDMAV-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?

The IUPAC name of N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide (CID 11669208) is N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide.

What is the SMILES notation for N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?

The canonical SMILES for N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide is COc1ccc2c(c1)C(c1ccccc1F)=NC(NC(=O)c1ccccc1OC)C(=O)N2.

What is the InChIKey of N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?

The InChIKey is GGKSWUUXRGDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-31-14-11-12-19-17(13-14)21(15-7-3-5-9-18(15)25)27-22(24(30)26-19)28-23(29)16-8-4-6-10-20(16)32-2/h3-13,22H,1-2H3,(H,26,30)(H,28,29).

What are the key properties of N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide?

N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide has a molecular weight of 433.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-fluorophenyl)-7-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 11669208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).