N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide

C16H16ClF3N4O3 — CID 55470547

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 55470547) has the molecular formula C16H16ClF3N4O3 and a molecular weight of 404.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
• PubChem CID: 55470547
• Molecular Formula: C16H16ClF3N4O3
• Molecular Weight: 404.78 g/mol
• Exact Mass: 404.09
• IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
• SMILES: Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)no1
• InChI: InChI=1S/C16H16ClF3N4O3/c1-9-5-13(23-27-9)22-15(26)8-24(2)7-14(25)21-12-4-3-10(17)6-11(12)16(18,19)20/h3-6H,7-8H2,1-2H3,(H,21,25)(H,22,23,26)
• InChIKey: XZDFXOGFGXISEW-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.78
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide (CID 55470547) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide.

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

The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide is Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)no1.

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

The InChIKey is XZDFXOGFGXISEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O3/c1-9-5-13(23-27-9)22-15(26)8-24(2)7-14(25)21-12-4-3-10(17)6-11(12)16(18,19)20/h3-6H,7-8H2,1-2H3,(H,21,25)(H,22,23,26).

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 404.78 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 55470547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).