N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide

C18H17Cl2FN2O3 — CID 21187915

IUPACN-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1F
InChIInChI=1S/C18H17Cl2FN2O3/c1-25-15-6-5-10(7-16(15)26-14-4-2-3-13(14)21)18(24)23-17-11(19)8-22-9-12(17)20/h5-9,13-14H,2-4H2,1H3,(H,22,23,24)
InChIKeyHMDVRAHEQWFILG-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.92
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide

N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide (PubChem CID 21187915) has the molecular formula C18H17Cl2FN2O3 and a molecular weight of 399.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide
PubChem CID21187915
Molecular FormulaC18H17Cl2FN2O3
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1F
InChIInChI=1S/C18H17Cl2FN2O3/c1-25-15-6-5-10(7-16(15)26-14-4-2-3-13(14)21)18(24)23-17-11(19)8-22-9-12(17)20/h5-9,13-14H,2-4H2,1H3,(H,22,23,24)
InChIKeyHMDVRAHEQWFILG-UHFFFAOYSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide (CID 21187915) is N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1F.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide?
The InChIKey is HMDVRAHEQWFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3/c1-25-15-6-5-10(7-16(15)26-14-4-2-3-13(14)21)18(24)23-17-11(19)8-22-9-12(17)20/h5-9,13-14H,2-4H2,1H3,(H,22,23,24).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide has a molecular weight of 399.25 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-(2-fluorocyclopentyl)oxy-4-methoxybenzamide is sourced from PubChem (CID 21187915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).