2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide

C18H10Cl3F4N5O2 — CID 155744161

About 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide

2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide (PubChem CID 155744161) has the molecular formula C18H10Cl3F4N5O2 and a molecular weight of 510.66 g/mol. Its IUPAC name is 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide
• PubChem CID: 155744161
• Molecular Formula: C18H10Cl3F4N5O2
• Molecular Weight: 510.66 g/mol
• Exact Mass: 508.98
• IUPAC Name: 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide
• SMILES: O=C(N(c1ncc(-c2noc(C(F)(F)Cl)n2)cn1)C1(c2ccccc2Cl)CC1)C(F)(F)Cl
• InChI: InChI=1S/C18H10Cl3F4N5O2/c19-11-4-2-1-3-10(11)16(5-6-16)30(14(31)18(21,24)25)15-26-7-9(8-27-15)12-28-13(32-29-12)17(20,22)23/h1-4,7-8H,5-6H2
• InChIKey: NOSSCWOTTMPURU-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide?

The IUPAC name of 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide (CID 155744161) is 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide.

What is the SMILES notation for 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide?

The canonical SMILES for 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide is O=C(N(c1ncc(-c2noc(C(F)(F)Cl)n2)cn1)C1(c2ccccc2Cl)CC1)C(F)(F)Cl.

What is the InChIKey of 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide?

The InChIKey is NOSSCWOTTMPURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F4N5O2/c19-11-4-2-1-3-10(11)16(5-6-16)30(14(31)18(21,24)25)15-26-7-9(8-27-15)12-28-13(32-29-12)17(20,22)23/h1-4,7-8H,5-6H2.

What are the key properties of 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide?

2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide has a molecular weight of 510.66 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-N-[1-(2-chlorophenyl)cyclopropyl]-2,2-difluoroacetamide is sourced from PubChem (CID 155744161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).