1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

C25H19Cl2F3N4O4 — CID 154633283

About 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 154633283) has the molecular formula C25H19Cl2F3N4O4 and a molecular weight of 567.35 g/mol. Its IUPAC name is 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 154633283
• Molecular Formula: C25H19Cl2F3N4O4
• Molecular Weight: 567.35 g/mol
• Exact Mass: 566.07
• IUPAC Name: 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c(Cl)c2)ccn1
• InChI: InChI=1S/C25H19Cl2F3N4O4/c1-31-21(35)20-12-15(6-9-32-20)38-14-3-5-19(18(27)11-14)34-23(37)24(7-8-24)22(36)33-13-2-4-17(26)16(10-13)25(28,29)30/h2-6,9-12H,7-8H2,1H3,(H,31,35)(H,33,36)(H,34,37)
• InChIKey: ZQUARZYHSNRDRN-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.35
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
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-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 154633283) is 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c(Cl)c2)ccn1.

What is the InChIKey of 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is ZQUARZYHSNRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4O4/c1-31-21(35)20-12-15(6-9-32-20)38-14-3-5-19(18(27)11-14)34-23(37)24(7-8-24)22(36)33-13-2-4-17(26)16(10-13)25(28,29)30/h2-6,9-12H,7-8H2,1H3,(H,31,35)(H,33,36)(H,34,37).

What are the key properties of 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 567.35 g/mol, XLogP of 5.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 154633283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).