2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide

C24H20Cl2F4N2O3 — CID 87306003

IUPAC2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1)c1cnc(Cl)cc1-c1ccccc1Cl
InChIInChI=1S/C24H20Cl2F4N2O3/c1-24(2,13-8-14(34-22(27)28)10-15(9-13)35-23(29)30)21(33)32(3)19-12-31-20(26)11-17(19)16-6-4-5-7-18(16)25/h4-12,22-23H,1-3H3
InChIKeyRUJPNLHCUWAMLZ-UHFFFAOYSA-N
MW531.33 g/mol
LogP7.20
Rot. Bonds8

About 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 87306003) has the molecular formula C24H20Cl2F4N2O3 and a molecular weight of 531.33 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID87306003
Molecular FormulaC24H20Cl2F4N2O3
Molecular Weight531.33 g/mol
Exact Mass530.08
IUPAC Name2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1)c1cnc(Cl)cc1-c1ccccc1Cl
InChIInChI=1S/C24H20Cl2F4N2O3/c1-24(2,13-8-14(34-22(27)28)10-15(9-13)35-23(29)30)21(33)32(3)19-12-31-20(26)11-17(19)16-6-4-5-7-18(16)25/h4-12,22-23H,1-3H3
InChIKeyRUJPNLHCUWAMLZ-UHFFFAOYSA-N
XLogP7.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.33
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 87306003) is 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(OC(F)F)cc(OC(F)F)c1)c1cnc(Cl)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is RUJPNLHCUWAMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F4N2O3/c1-24(2,13-8-14(34-22(27)28)10-15(9-13)35-23(29)30)21(33)32(3)19-12-31-20(26)11-17(19)16-6-4-5-7-18(16)25/h4-12,22-23H,1-3H3.
What are the key properties of 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 531.33 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethoxy)phenyl]-N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 87306003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).