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

C26H23ClF6N2O3 — CID 11584906

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCCO)cc1-c1ccccc1Cl
InChIInChI=1S/C26H23ClF6N2O3/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(37)35(3)21-14-34-22(38-9-8-36)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,36H,8-9H2,1-3H3
InChIKeyVMIDUWIKYNRVMQ-UHFFFAOYSA-N
MW560.92 g/mol
LogP6.75
Rot. Bonds7

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 11584906) has the molecular formula C26H23ClF6N2O3 and a molecular weight of 560.92 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID11584906
Molecular FormulaC26H23ClF6N2O3
Molecular Weight560.92 g/mol
Exact Mass560.13
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCCO)cc1-c1ccccc1Cl
InChIInChI=1S/C26H23ClF6N2O3/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(37)35(3)21-14-34-22(38-9-8-36)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,36H,8-9H2,1-3H3
InChIKeyVMIDUWIKYNRVMQ-UHFFFAOYSA-N
XLogP6.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.92
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide (CID 11584906) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCCO)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is VMIDUWIKYNRVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF6N2O3/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(37)35(3)21-14-34-22(38-9-8-36)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,36H,8-9H2,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 560.92 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11584906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).