1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide

C38H24F12N6O4 — CID 175351009

About 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide

1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide (PubChem CID 175351009) has the molecular formula C38H24F12N6O4 and a molecular weight of 856.62 g/mol. Its IUPAC name is 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide
• PubChem CID: 175351009
• Molecular Formula: C38H24F12N6O4
• Molecular Weight: 856.62 g/mol
• Exact Mass: 856.17
• IUPAC Name: 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide
• SMILES: Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(N)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)c(C(F)(F)F)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C38H24F12N6O4/c39-35(40,41)24-13-18(3-9-23(24)34(60)56-30-12-6-21(52)16-27(30)38(48,49)50)32(58)53-22-7-1-17(2-8-22)31(57)54-28-10-4-19(14-25(28)36(42,43)44)33(59)55-29-11-5-20(51)15-26(29)37(45,46)47/h1-16H,51-52H2,(H,53,58)(H,54,57)(H,55,59)(H,56,60)
• InChIKey: UGYWTONAODVSRJ-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 168.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.62
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide?

The IUPAC name of 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide (CID 175351009) is 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide.

What is the SMILES notation for 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide?

The canonical SMILES for 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide is Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(N)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)c(C(F)(F)F)c2)c(C(F)(F)F)c1.

What is the InChIKey of 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide?

The InChIKey is UGYWTONAODVSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F12N6O4/c39-35(40,41)24-13-18(3-9-23(24)34(60)56-30-12-6-21(52)16-27(30)38(48,49)50)32(58)53-22-7-1-17(2-8-22)31(57)54-28-10-4-19(14-25(28)36(42,43)44)33(59)55-29-11-5-20(51)15-26(29)37(45,46)47/h1-16H,51-52H2,(H,53,58)(H,54,57)(H,55,59)(H,56,60).

What are the key properties of 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide?

1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide has a molecular weight of 856.62 g/mol, XLogP of 9.94, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 175351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).