2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide

C18H17F6N3O2 — CID 2729351

IUPAC2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H17F6N3O2/c1-3-29-13-9-5-4-8-12(13)15(28)27-16(17(19,20)21,18(22,23)24)26-14-10-6-7-11(2)25-14/h4-10H,3H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyBRYNXUPPQRGWJR-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.45
Rot. Bonds6

About 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide

2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide (PubChem CID 2729351) has the molecular formula C18H17F6N3O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide
PubChem CID2729351
Molecular FormulaC18H17F6N3O2
Molecular Weight421.34 g/mol
Exact Mass421.12
IUPAC Name2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H17F6N3O2/c1-3-29-13-9-5-4-8-12(13)15(28)27-16(17(19,20)21,18(22,23)24)26-14-10-6-7-11(2)25-14/h4-10H,3H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyBRYNXUPPQRGWJR-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide (CID 2729351) is 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide?
The InChIKey is BRYNXUPPQRGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N3O2/c1-3-29-13-9-5-4-8-12(13)15(28)27-16(17(19,20)21,18(22,23)24)26-14-10-6-7-11(2)25-14/h4-10H,3H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide?
2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide has a molecular weight of 421.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 2729351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).