N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide

C28H30FN3O2 — CID 60536575

About N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide

N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide (PubChem CID 60536575) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide
• PubChem CID: 60536575
• Molecular Formula: C28H30FN3O2
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide
• SMILES: CC(NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C28H30FN3O2/c1-19(22-12-11-21-9-5-6-10-23(21)16-22)31-28(34)18-30-24-13-14-25(29)26(17-24)32-27(33)15-20-7-3-2-4-8-20/h2-4,7-8,11-14,16-17,19,30H,5-6,9-10,15,18H2,1H3,(H,31,34)(H,32,33)
• InChIKey: JPJTYTXNPLPVQZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide?

The IUPAC name of N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide (CID 60536575) is N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide?

The canonical SMILES for N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide is CC(NC(=O)CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1)c1ccc2c(c1)CCCC2.

What is the InChIKey of N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide?

The InChIKey is JPJTYTXNPLPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-19(22-12-11-21-9-5-6-10-23(21)16-22)31-28(34)18-30-24-13-14-25(29)26(17-24)32-27(33)15-20-7-3-2-4-8-20/h2-4,7-8,11-14,16-17,19,30H,5-6,9-10,15,18H2,1H3,(H,31,34)(H,32,33).

What are the key properties of N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide?

N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide has a molecular weight of 459.57 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 60536575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).