2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide

C19H19Cl2F3N2O2 — CID 162379655

IUPAC2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide
SMILESCCCN(CC(O)c1ccc(C(F)(F)F)nc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2F3N2O2/c1-2-7-26(18(28)9-12-3-5-14(20)15(21)8-12)11-16(27)13-4-6-17(25-10-13)19(22,23)24/h3-6,8,10,16,27H,2,7,9,11H2,1H3
InChIKeyISTCTYFHCLJOQL-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.92
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide

2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide (PubChem CID 162379655) has the molecular formula C19H19Cl2F3N2O2 and a molecular weight of 435.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide
PubChem CID162379655
Molecular FormulaC19H19Cl2F3N2O2
Molecular Weight435.27 g/mol
Exact Mass434.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide
SMILESCCCN(CC(O)c1ccc(C(F)(F)F)nc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2F3N2O2/c1-2-7-26(18(28)9-12-3-5-14(20)15(21)8-12)11-16(27)13-4-6-17(25-10-13)19(22,23)24/h3-6,8,10,16,27H,2,7,9,11H2,1H3
InChIKeyISTCTYFHCLJOQL-UHFFFAOYSA-N
XLogP4.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide (CID 162379655) is 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide is CCCN(CC(O)c1ccc(C(F)(F)F)nc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide?
The InChIKey is ISTCTYFHCLJOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O2/c1-2-7-26(18(28)9-12-3-5-14(20)15(21)8-12)11-16(27)13-4-6-17(25-10-13)19(22,23)24/h3-6,8,10,16,27H,2,7,9,11H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide?
2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide has a molecular weight of 435.27 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide is sourced from PubChem (CID 162379655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).