N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C35H32F4N2O2 — CID 10175284

About N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 10175284) has the molecular formula C35H32F4N2O2 and a molecular weight of 588.65 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
• PubChem CID: 10175284
• Molecular Formula: C35H32F4N2O2
• Molecular Weight: 588.65 g/mol
• Exact Mass: 588.24
• IUPAC Name: N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
• SMILES: COc1ccc2c(c1)CC(N(Cc1ccccc1F)C(=O)CN1CCc3ccccc3C1c1ccccc1C(F)(F)F)C2
• InChI: InChI=1S/C35H32F4N2O2/c1-43-28-15-14-24-18-27(19-26(24)20-28)41(21-25-9-3-7-13-32(25)36)33(42)22-40-17-16-23-8-2-4-10-29(23)34(40)30-11-5-6-12-31(30)35(37,38)39/h2-15,20,27,34H,16-19,21-22H2,1H3
• InChIKey: ZFBSSAIQCULFJR-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.65
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 10175284) is N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is COc1ccc2c(c1)CC(N(Cc1ccccc1F)C(=O)CN1CCc3ccccc3C1c1ccccc1C(F)(F)F)C2.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The InChIKey is ZFBSSAIQCULFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32F4N2O2/c1-43-28-15-14-24-18-27(19-26(24)20-28)41(21-25-9-3-7-13-32(25)36)33(42)22-40-17-16-23-8-2-4-10-29(23)34(40)30-11-5-6-12-31(30)35(37,38)39/h2-15,20,27,34H,16-19,21-22H2,1H3.

What are the key properties of N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 588.65 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2-[1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 10175284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).