5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C28H26ClN3O4 — CID 42840798

About 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840798) has the molecular formula C28H26ClN3O4 and a molecular weight of 503.99 g/mol. Its IUPAC name is 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840798
• Molecular Formula: C28H26ClN3O4
• Molecular Weight: 503.99 g/mol
• Exact Mass: 503.16
• IUPAC Name: 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)C2C(=O)NC2CC2)cc1
• InChI: InChI=1S/C28H26ClN3O4/c1-17-5-7-18(8-6-17)16-32-24(27(34)31-23-13-14-23)25(36-28(32)35)19-9-11-22(12-10-19)30-26(33)20-3-2-4-21(29)15-20/h2-12,15,23-25H,13-14,16H2,1H3,(H,30,33)(H,31,34)
• InChIKey: UBESWALDGUWXJB-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.99
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840798) is 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)C2C(=O)NC2CC2)cc1.

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

The InChIKey is UBESWALDGUWXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O4/c1-17-5-7-18(8-6-17)16-32-24(27(34)31-23-13-14-23)25(36-28(32)35)19-9-11-22(12-10-19)30-26(33)20-3-2-4-21(29)15-20/h2-12,15,23-25H,13-14,16H2,1H3,(H,30,33)(H,31,34).

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

5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).