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

C27H25ClFN3O4 — CID 42841295

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

3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841295) has the molecular formula C27H25ClFN3O4 and a molecular weight of 509.97 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841295
• Molecular Formula: C27H25ClFN3O4
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.15
• IUPAC Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCN(C)C(=O)C1C(c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C27H25ClFN3O4/c1-3-31(2)26(34)23-24(36-27(35)32(23)16-17-6-4-8-20(28)14-17)19-7-5-9-22(15-19)30-25(33)18-10-12-21(29)13-11-18/h4-15,23-24H,3,16H2,1-2H3,(H,30,33)
• InChIKey: GGWABKDAHCDYLV-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.97
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841295) is 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CCN(C)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-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is GGWABKDAHCDYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O4/c1-3-31(2)26(34)23-24(36-27(35)32(23)16-17-6-4-8-20(28)14-17)19-7-5-9-22(15-19)30-25(33)18-10-12-21(29)13-11-18/h4-15,23-24H,3,16H2,1-2H3,(H,30,33).

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

3-[(3-chlorophenyl)methyl]-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 509.97 g/mol, XLogP of 5.27, 7 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-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).