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

C24H18ClF7N2O — CID 23502783

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H18ClF7N2O/c1-22(2,14-8-15(23(27,28)29)10-16(9-14)24(30,31)32)21(35)34(3)19-12-33-20(25)11-18(19)13-4-6-17(26)7-5-13/h4-12H,1-3H3
InChIKeyLWXNPSSNZKWSHE-UHFFFAOYSA-N
MW518.86 g/mol
LogP7.52
Rot. Bonds4

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 23502783) has the molecular formula C24H18ClF7N2O and a molecular weight of 518.86 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID23502783
Molecular FormulaC24H18ClF7N2O
Molecular Weight518.86 g/mol
Exact Mass518.10
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H18ClF7N2O/c1-22(2,14-8-15(23(27,28)29)10-16(9-14)24(30,31)32)21(35)34(3)19-12-33-20(25)11-18(19)13-4-6-17(26)7-5-13/h4-12H,1-3H3
InChIKeyLWXNPSSNZKWSHE-UHFFFAOYSA-N
XLogP7.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.86
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 23502783) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is LWXNPSSNZKWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF7N2O/c1-22(2,14-8-15(23(27,28)29)10-16(9-14)24(30,31)32)21(35)34(3)19-12-33-20(25)11-18(19)13-4-6-17(26)7-5-13/h4-12H,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 518.86 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 23502783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).