N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C23H21ClF3N3O3 — CID 17497153

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 17497153) has the molecular formula C23H21ClF3N3O3 and a molecular weight of 479.89 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 17497153
• Molecular Formula: C23H21ClF3N3O3
• Molecular Weight: 479.89 g/mol
• Exact Mass: 479.12
• IUPAC Name: N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1
• InChI: InChI=1S/C23H21ClF3N3O3/c1-14-3-5-15(6-4-14)19-12-28-21(33-19)9-10-22(32)30(2)13-20(31)29-16-7-8-18(24)17(11-16)23(25,26)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,29,31)
• InChIKey: FCKAGNIHCIBNLQ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.89
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 17497153) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1.

What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is FCKAGNIHCIBNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O3/c1-14-3-5-15(6-4-14)19-12-28-21(33-19)9-10-22(32)30(2)13-20(31)29-16-7-8-18(24)17(11-16)23(25,26)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,29,31).

What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 479.89 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 17497153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).