3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide

C18H17Cl2FN2O2S — CID 21187859

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCCC2)c1
InChIInChI=1S/C18H17Cl2FN2O2S/c19-13-8-22-9-14(20)17(13)23-18(24)11-5-6-16(26-10-21)15(7-11)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,22,23,24)
InChIKeyFXFSXIRKZQSJOW-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.98
Rot. Bonds6

About 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide (PubChem CID 21187859) has the molecular formula C18H17Cl2FN2O2S and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide
PubChem CID21187859
Molecular FormulaC18H17Cl2FN2O2S
Molecular Weight415.32 g/mol
Exact Mass414.04
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCCC2)c1
InChIInChI=1S/C18H17Cl2FN2O2S/c19-13-8-22-9-14(20)17(13)23-18(24)11-5-6-16(26-10-21)15(7-11)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,22,23,24)
InChIKeyFXFSXIRKZQSJOW-UHFFFAOYSA-N
XLogP5.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide (CID 21187859) is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide?
The InChIKey is FXFSXIRKZQSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2S/c19-13-8-22-9-14(20)17(13)23-18(24)11-5-6-16(26-10-21)15(7-11)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,22,23,24).
What are the key properties of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide?
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide has a molecular weight of 415.32 g/mol, XLogP of 5.98, 6 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-4-pyridinyl)-4-(fluoromethylsulfanyl)benzamide is sourced from PubChem (CID 21187859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).