2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate

C54H48Cl4F6N6O7 — CID 159170847

About 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate

2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 159170847) has the molecular formula C54H48Cl4F6N6O7 and a molecular weight of 1148.81 g/mol. Its IUPAC name is 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 159170847
• Molecular Formula: C54H48Cl4F6N6O7
• Molecular Weight: 1148.81 g/mol
• Exact Mass: 1146.22
• IUPAC Name: 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate
• SMILES: O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1cccc(Oc3ccccc3Cl)c1Cl)C2.O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CNC2.O=Cc1cccc(Oc2ccccc2Cl)c1Cl
• InChI: InChI=1S/C27H24Cl2F3N3O3.C14H16F3N3O2.C13H8Cl2O2/c28-21-5-1-2-6-22(21)38-23-7-3-4-18(24(23)29)15-34-16-26(17-34)8-10-35(11-9-26)25(36)37-20-12-19(13-33-14-20)27(30,31)32;15-14(16,17)10-5-11(7-18-6-10)22-12(21)20-3-1-13(2-4-20)8-19-9-13;14-10-5-1-2-6-11(10)17-12-7-3-4-9(8-16)13(12)15/h1-7,12-14H,8-11,15-17H2;5-7,19H,1-4,8-9H2;1-8H
• InChIKey: KLQZDHPIFMMGTR-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 135.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1148.81
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The IUPAC name of 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 159170847) is 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate.

What is the SMILES notation for 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The canonical SMILES for 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1cccc(Oc3ccccc3Cl)c1Cl)C2.O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CNC2.O=Cc1cccc(Oc2ccccc2Cl)c1Cl.

What is the InChIKey of 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The InChIKey is KLQZDHPIFMMGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F3N3O3.C14H16F3N3O2.C13H8Cl2O2/c28-21-5-1-2-6-22(21)38-23-7-3-4-18(24(23)29)15-34-16-26(17-34)8-10-35(11-9-26)25(36)37-20-12-19(13-33-14-20)27(30,31)32;15-14(16,17)10-5-11(7-18-6-10)22-12(21)20-3-1-13(2-4-20)8-19-9-13;14-10-5-1-2-6-11(10)17-12-7-3-4-9(8-16)13(12)15/h1-7,12-14H,8-11,15-17H2;5-7,19H,1-4,8-9H2;1-8H.

What are the key properties of 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 1148.81 g/mol, XLogP of 14.18, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[2-chloro-3-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 159170847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).