N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C18H19BrF3N3O2 — CID 162379672

IUPACN-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cncc(Br)c1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H19BrF3N3O2/c1-2-5-25(11-15(26)13-7-14(19)10-23-9-13)17(27)6-12-3-4-16(24-8-12)18(20,21)22/h3-4,7-10,15,26H,2,5-6,11H2,1H3
InChIKeyVQWGGHJTIFTGLP-UHFFFAOYSA-N
MW446.27 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379672) has the molecular formula C18H19BrF3N3O2 and a molecular weight of 446.27 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379672
Molecular FormulaC18H19BrF3N3O2
Molecular Weight446.27 g/mol
Exact Mass445.06
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cncc(Br)c1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H19BrF3N3O2/c1-2-5-25(11-15(26)13-7-14(19)10-23-9-13)17(27)6-12-3-4-16(24-8-12)18(20,21)22/h3-4,7-10,15,26H,2,5-6,11H2,1H3
InChIKeyVQWGGHJTIFTGLP-UHFFFAOYSA-N
XLogP3.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379672) is N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CCCN(CC(O)c1cncc(Br)c1)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is VQWGGHJTIFTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N3O2/c1-2-5-25(11-15(26)13-7-14(19)10-23-9-13)17(27)6-12-3-4-16(24-8-12)18(20,21)22/h3-4,7-10,15,26H,2,5-6,11H2,1H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 446.27 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-2-hydroxyethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).