3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C28H27ClFN3O4 — CID 42841292

About 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841292) has the molecular formula C28H27ClFN3O4 and a molecular weight of 523.99 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841292
• Molecular Formula: C28H27ClFN3O4
• Molecular Weight: 523.99 g/mol
• Exact Mass: 523.17
• IUPAC Name: 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCN(CC)C(=O)C1C(c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C28H27ClFN3O4/c1-3-32(4-2)27(35)24-25(37-28(36)33(24)17-18-7-5-9-21(29)15-18)20-8-6-10-23(16-20)31-26(34)19-11-13-22(30)14-12-19/h5-16,24-25H,3-4,17H2,1-2H3,(H,31,34)
• InChIKey: FFYGCGAOYOLERB-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.99
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841292) is 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCN(CC)C(=O)C1C(c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1.

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

The InChIKey is FFYGCGAOYOLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN3O4/c1-3-32(4-2)27(35)24-25(37-28(36)33(24)17-18-7-5-9-21(29)15-18)20-8-6-10-23(16-20)31-26(34)19-11-13-22(30)14-12-19/h5-16,24-25H,3-4,17H2,1-2H3,(H,31,34).

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

3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 523.99 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenyl)methyl]-N,N-diethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).