1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C26H22F4N4O4 — CID 66605067

About 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 66605067) has the molecular formula C26H22F4N4O4 and a molecular weight of 530.48 g/mol. Its IUPAC name is 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 66605067
• Molecular Formula: C26H22F4N4O4
• Molecular Weight: 530.48 g/mol
• Exact Mass: 530.16
• IUPAC Name: 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: CC(C)(F)C(=O)Nc1cc(Oc2cc(F)c(N(C(=O)C3(C(N)=O)CC3)c3ccc(F)cc3)cc2F)ccn1
• InChI: InChI=1S/C26H22F4N4O4/c1-25(2,30)23(36)33-21-11-16(7-10-32-21)38-20-13-17(28)19(12-18(20)29)34(15-5-3-14(27)4-6-15)24(37)26(8-9-26)22(31)35/h3-7,10-13H,8-9H2,1-2H3,(H2,31,35)(H,32,33,36)
• InChIKey: IKSNDNCIAVUOAS-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 114.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 66605067) is 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CC(C)(F)C(=O)Nc1cc(Oc2cc(F)c(N(C(=O)C3(C(N)=O)CC3)c3ccc(F)cc3)cc2F)ccn1.

What is the InChIKey of 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is IKSNDNCIAVUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O4/c1-25(2,30)23(36)33-21-11-16(7-10-32-21)38-20-13-17(28)19(12-18(20)29)34(15-5-3-14(27)4-6-15)24(37)26(8-9-26)22(31)35/h3-7,10-13H,8-9H2,1-2H3,(H2,31,35)(H,32,33,36).

What are the key properties of 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 530.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66605067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).