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

C18H16F4N2O3 — CID 22145808

IUPAC5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C18H16F4N2O3/c1-26-13-7-11(19)10(6-14(13)27-9-4-2-3-5-9)18(25)24-16-12(20)8-23-17(22)15(16)21/h6-9H,2-5H2,1H3,(H,23,24,25)
InChIKeyDAMWTMVXFFQHAK-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.22
Rot. Bonds5

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

5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide (PubChem CID 22145808) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
PubChem CID22145808
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C18H16F4N2O3/c1-26-13-7-11(19)10(6-14(13)27-9-4-2-3-5-9)18(25)24-16-12(20)8-23-17(22)15(16)21/h6-9H,2-5H2,1H3,(H,23,24,25)
InChIKeyDAMWTMVXFFQHAK-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.22
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 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide (CID 22145808) is 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The canonical SMILES for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide is COc1cc(F)c(C(=O)Nc2c(F)cnc(F)c2F)cc1OC1CCCC1.
What is the InChIKey of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
The InChIKey is DAMWTMVXFFQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-26-13-7-11(19)10(6-14(13)27-9-4-2-3-5-9)18(25)24-16-12(20)8-23-17(22)15(16)21/h6-9H,2-5H2,1H3,(H,23,24,25).
What are the key properties of 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide?
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide has a molecular weight of 384.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 22145808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).