N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

C29H28F2N2O2 — CID 66864629

About N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 66864629) has the molecular formula C29H28F2N2O2 and a molecular weight of 474.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
• PubChem CID: 66864629
• Molecular Formula: C29H28F2N2O2
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.21
• IUPAC Name: N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
• SMILES: O=C(NC1CC1)c1ccc(C2(c3cc(F)c(OCc4ccccn4)cc3F)CC3CCC2C3)cc1
• InChI: InChI=1S/C29H28F2N2O2/c30-25-15-27(35-17-23-3-1-2-12-32-23)26(31)14-24(25)29(16-18-4-7-21(29)13-18)20-8-5-19(6-9-20)28(34)33-22-10-11-22/h1-3,5-6,8-9,12,14-15,18,21-22H,4,7,10-11,13,16-17H2,(H,33,34)
• InChIKey: RFEFCTRDKWVVRG-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?

The IUPAC name of N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (CID 66864629) is N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(NC1CC1)c1ccc(C2(c3cc(F)c(OCc4ccccn4)cc3F)CC3CCC2C3)cc1.

What is the InChIKey of N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?

The InChIKey is RFEFCTRDKWVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N2O2/c30-25-15-27(35-17-23-3-1-2-12-32-23)26(31)14-24(25)29(16-18-4-7-21(29)13-18)20-8-5-19(6-9-20)28(34)33-22-10-11-22/h1-3,5-6,8-9,12,14-15,18,21-22H,4,7,10-11,13,16-17H2,(H,33,34).

What are the key properties of N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?

N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 474.55 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[2-[2,5-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 66864629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).