3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide

C18H18Cl2N2O2 — CID 24848935

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-6-7-12(8-16(11)24-13-4-2-3-5-13)18(23)22-17-14(19)9-21-10-15(17)20/h6-10,13H,2-5H2,1H3,(H,21,22,23)
InChIKeyKTOUPOVYOXEPEW-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.27
Rot. Bonds4

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

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide (PubChem CID 24848935) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide
PubChem CID24848935
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-6-7-12(8-16(11)24-13-4-2-3-5-13)18(23)22-17-14(19)9-21-10-15(17)20/h6-10,13H,2-5H2,1H3,(H,21,22,23)
InChIKeyKTOUPOVYOXEPEW-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide (CID 24848935) is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide?
The InChIKey is KTOUPOVYOXEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-6-7-12(8-16(11)24-13-4-2-3-5-13)18(23)22-17-14(19)9-21-10-15(17)20/h6-10,13H,2-5H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide?
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 24848935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).