3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C26H24FN3O4 — CID 42841003

About 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841003) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841003
• Molecular Formula: C26H24FN3O4
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.18
• IUPAC Name: 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCNC(=O)C1C(c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C26H24FN3O4/c1-2-28-25(32)22-23(34-26(33)30(22)16-17-7-4-3-5-8-17)19-9-6-10-21(15-19)29-24(31)18-11-13-20(27)14-12-18/h3-15,22-23H,2,16H2,1H3,(H,28,32)(H,29,31)
• InChIKey: GSTQVQCEMLGTFH-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841003) is 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCNC(=O)C1C(c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1ccccc1.

What is the InChIKey of 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is GSTQVQCEMLGTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-2-28-25(32)22-23(34-26(33)30(22)16-17-7-4-3-5-8-17)19-9-6-10-21(15-19)29-24(31)18-11-13-20(27)14-12-18/h3-15,22-23H,2,16H2,1H3,(H,28,32)(H,29,31).

What are the key properties of 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).