3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide

C18H17F3N2O3 — CID 10406571

IUPAC3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C18H17F3N2O3/c1-25-13-7-6-10(8-14(13)26-11-4-2-3-5-11)18(24)23-16-12(19)9-22-17(21)15(16)20/h6-9,11H,2-5H2,1H3,(H,22,23,24)
InChIKeyLJNCJQDRDFAKJB-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.08
Rot. Bonds5

About 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide

3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide (PubChem CID 10406571) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
PubChem CID10406571
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C18H17F3N2O3/c1-25-13-7-6-10(8-14(13)26-11-4-2-3-5-11)18(24)23-16-12(19)9-22-17(21)15(16)20/h6-9,11H,2-5H2,1H3,(H,22,23,24)
InChIKeyLJNCJQDRDFAKJB-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide (CID 10406571) is 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide is COc1ccc(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The InChIKey is LJNCJQDRDFAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-25-13-7-6-10(8-14(13)26-11-4-2-3-5-11)18(24)23-16-12(19)9-22-17(21)15(16)20/h6-9,11H,2-5H2,1H3,(H,22,23,24).
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 10406571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).