3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C27H25F3N4O4 — CID 54844558

About 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54844558) has the molecular formula C27H25F3N4O4 and a molecular weight of 526.52 g/mol. Its IUPAC name is 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 54844558
• Molecular Formula: C27H25F3N4O4
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.18
• IUPAC Name: 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C27H25F3N4O4/c28-27(29,30)20-4-2-6-23(16-20)33-25(36)19-3-1-5-22(15-19)31-17-24(35)32-21-9-7-18(8-10-21)26(37)34-11-13-38-14-12-34/h1-10,15-16,31H,11-14,17H2,(H,32,35)(H,33,36)
• InChIKey: WEIQQMKYIUBHPY-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54844558) is 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is WEIQQMKYIUBHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4/c28-27(29,30)20-4-2-6-23(16-20)33-25(36)19-3-1-5-22(15-19)31-17-24(35)32-21-9-7-18(8-10-21)26(37)34-11-13-38-14-12-34/h1-10,15-16,31H,11-14,17H2,(H,32,35)(H,33,36).

What are the key properties of 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 526.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54844558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).