3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide

C18H16Cl2F2N2O3 — CID 10070567

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H16Cl2F2N2O3/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)
InChIKeyUTTRDACLMAMUJY-UHFFFAOYSA-N
MW417.24 g/mol
LogP5.25
Rot. Bonds5

About 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide

3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide (PubChem CID 10070567) has the molecular formula C18H16Cl2F2N2O3 and a molecular weight of 417.24 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
PubChem CID10070567
Molecular FormulaC18H16Cl2F2N2O3
Molecular Weight417.24 g/mol
Exact Mass416.05
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H16Cl2F2N2O3/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)
InChIKeyUTTRDACLMAMUJY-UHFFFAOYSA-N
XLogP5.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.24
LogP ≤ 55.25
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-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide (CID 10070567) is 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is UTTRDACLMAMUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O3/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 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 417.24 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 10070567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).