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

C18H15Cl2F3N2O3 — CID 21187907

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C18H15Cl2F3N2O3/c19-12-8-24-9-13(20)16(12)25-17(26)10-5-6-14(28-18(21,22)23)15(7-10)27-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,25,26)
InChIKeyAJXJURBNEJCQLT-UHFFFAOYSA-N
MW435.23 g/mol
LogP5.86
Rot. Bonds5

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

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide (PubChem CID 21187907) has the molecular formula C18H15Cl2F3N2O3 and a molecular weight of 435.23 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide
PubChem CID21187907
Molecular FormulaC18H15Cl2F3N2O3
Molecular Weight435.23 g/mol
Exact Mass434.04
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C18H15Cl2F3N2O3/c19-12-8-24-9-13(20)16(12)25-17(26)10-5-6-14(28-18(21,22)23)15(7-10)27-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,25,26)
InChIKeyAJXJURBNEJCQLT-UHFFFAOYSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.23
LogP ≤ 55.86
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-(trifluoromethoxy)benzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide (CID 21187907) is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)(F)F)c(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is AJXJURBNEJCQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O3/c19-12-8-24-9-13(20)16(12)25-17(26)10-5-6-14(28-18(21,22)23)15(7-10)27-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,25,26).
What are the key properties of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide?
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 435.23 g/mol, XLogP of 5.86, 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-4-pyridinyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 21187907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).