N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide

C18H16ClF3N2O3 — CID 10023953

IUPACN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H16ClF3N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
InChIKeyUNAHUQXNPYRZGJ-UHFFFAOYSA-N
MW400.78 g/mol
LogP4.73
Rot. Bonds5

About N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide

N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide (PubChem CID 10023953) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
PubChem CID10023953
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC NameN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H16ClF3N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25)
InChIKeyUNAHUQXNPYRZGJ-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 54.73
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 N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The IUPAC name of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide (CID 10023953) is N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The canonical SMILES for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
The InChIKey is UNAHUQXNPYRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c1-26-11-7-6-9(8-12(11)27-10-4-2-3-5-10)18(25)23-15-13(19)16(21)24-17(22)14(15)20/h6-8,10H,2-5H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide?
N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide has a molecular weight of 400.78 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-3-cyclopentyloxy-4-methoxybenzamide is sourced from PubChem (CID 10023953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).