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

C18H18F2N2O3 — CID 21187850

IUPAC3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1
InChIInChI=1S/C18H18F2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKeyBYQNIECRQFGVRU-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.94
Rot. Bonds5

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

3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide (PubChem CID 21187850) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide
PubChem CID21187850
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1
InChIInChI=1S/C18H18F2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKeyBYQNIECRQFGVRU-UHFFFAOYSA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.94
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-difluoro-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide (CID 21187850) is 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is BYQNIECRQFGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide?
3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 348.35 g/mol, XLogP of 3.94, 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-difluoro-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 21187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).