3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C30H26F3N3O3 — CID 54844584

About 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54844584) has the molecular formula C30H26F3N3O3 and a molecular weight of 533.55 g/mol. Its IUPAC name is 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 54844584
• Molecular Formula: C30H26F3N3O3
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.19
• IUPAC Name: 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(OCCc2ccccc2)c1
• InChI: InChI=1S/C30H26F3N3O3/c31-30(32,33)23-10-5-12-25(18-23)36-29(38)22-9-4-11-24(17-22)34-20-28(37)35-26-13-6-14-27(19-26)39-16-15-21-7-2-1-3-8-21/h1-14,17-19,34H,15-16,20H2,(H,35,37)(H,36,38)
• InChIKey: FMKJLTXPGVMSLW-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54844584) is 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(OCCc2ccccc2)c1.

What is the InChIKey of 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is FMKJLTXPGVMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O3/c31-30(32,33)23-10-5-12-25(18-23)36-29(38)22-9-4-11-24(17-22)34-20-28(37)35-26-13-6-14-27(19-26)39-16-15-21-7-2-1-3-8-21/h1-14,17-19,34H,15-16,20H2,(H,35,37)(H,36,38).

What are the key properties of 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 533.55 g/mol, XLogP of 6.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54844584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).