2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide

C18H14ClF4NO2 — CID 19807766

About 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide

2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 19807766) has the molecular formula C18H14ClF4NO2 and a molecular weight of 387.76 g/mol. Its IUPAC name is 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
• PubChem CID: 19807766
• Molecular Formula: C18H14ClF4NO2
• Molecular Weight: 387.76 g/mol
• Exact Mass: 387.06
• IUPAC Name: 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
• SMILES: NC(=O)CC1CCc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21
• InChI: InChI=1S/C18H14ClF4NO2/c19-14-6-11(18(21,22)23)7-15(20)17(14)26-12-4-3-9-1-2-10(5-16(24)25)13(9)8-12/h3-4,6-8,10H,1-2,5H2,(H2,24,25)
• InChIKey: GNIDADVHWUYCCW-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.76
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?

The IUPAC name of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 19807766) is 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide.

What is the SMILES notation for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?

The canonical SMILES for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide is NC(=O)CC1CCc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21.

What is the InChIKey of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?

The InChIKey is GNIDADVHWUYCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4NO2/c19-14-6-11(18(21,22)23)7-15(20)17(14)26-12-4-3-9-1-2-10(5-16(24)25)13(9)8-12/h3-4,6-8,10H,1-2,5H2,(H2,24,25).

What are the key properties of 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?

2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 387.76 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 19807766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).