N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide

C26H17Cl3F3NO4 — CID 21001785

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide (PubChem CID 21001785) has the molecular formula C26H17Cl3F3NO4 and a molecular weight of 570.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
• PubChem CID: 21001785
• Molecular Formula: C26H17Cl3F3NO4
• Molecular Weight: 570.78 g/mol
• Exact Mass: 569.02
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
• SMILES: Cc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
• InChI: InChI=1S/C26H17Cl3F3NO4/c1-12-3-5-14(6-4-12)22-24(21(34)17-10-16(27)11-19(29)23(17)37-22)36-13(2)25(35)33-20-9-15(26(30,31)32)7-8-18(20)28/h3-11,13H,1-2H3,(H,33,35)
• InChIKey: IXIKIEIEBYNXAO-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.78
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide (CID 21001785) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide is Cc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OC(C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?

The InChIKey is IXIKIEIEBYNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl3F3NO4/c1-12-3-5-14(6-4-12)22-24(21(34)17-10-16(27)11-19(29)23(17)37-22)36-13(2)25(35)33-20-9-15(26(30,31)32)7-8-18(20)28/h3-11,13H,1-2H3,(H,33,35).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide has a molecular weight of 570.78 g/mol, XLogP of 8.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6,8-dichloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide is sourced from PubChem (CID 21001785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).