5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide

C27H25F2N3O4 — CID 42841241

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

5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 42841241) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841241
• Molecular Formula: C27H25F2N3O4
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.18
• IUPAC Name: 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1C(c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C27H25F2N3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-7-11-19(28)12-8-17)18-9-13-20(14-10-18)31-25(33)21-5-3-4-6-22(21)29/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33)
• InChIKey: AASQAZSEGASFFV-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 42841241) is 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)C1C(c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccc(F)cc1.

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

The InChIKey is AASQAZSEGASFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c1-16(2)30-26(34)23-24(36-27(35)32(23)15-17-7-11-19(28)12-8-17)18-9-13-20(14-10-18)31-25(33)21-5-3-4-6-22(21)29/h3-14,16,23-24H,15H2,1-2H3,(H,30,34)(H,31,33).

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

5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).