N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C23H24ClF3N6O2 — CID 3178620

About N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3178620) has the molecular formula C23H24ClF3N6O2 and a molecular weight of 508.93 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
• PubChem CID: 3178620
• Molecular Formula: C23H24ClF3N6O2
• Molecular Weight: 508.93 g/mol
• Exact Mass: 508.16
• IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(Cl)c(C(F)(F)F)c3)n2)cc1
• InChI: InChI=1S/C23H24ClF3N6O2/c1-14-5-7-15(8-6-14)21-29-31-33(30-21)13-20(35)32(12-19(34)28-22(2,3)4)16-9-10-18(24)17(11-16)23(25,26)27/h5-11H,12-13H2,1-4H3,(H,28,34)
• InChIKey: SYEWKZMKWQYQRO-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.93
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?

The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 3178620) is N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(Cl)c(C(F)(F)F)c3)n2)cc1.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?

The InChIKey is SYEWKZMKWQYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O2/c1-14-5-7-15(8-6-14)21-29-31-33(30-21)13-20(35)32(12-19(34)28-22(2,3)4)16-9-10-18(24)17(11-16)23(25,26)27/h5-11H,12-13H2,1-4H3,(H,28,34).

What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?

N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 508.93 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3178620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).