3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C25H29FN2O2 — CID 55687433

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 55687433) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

• Compound Name: 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
• PubChem CID: 55687433
• Molecular Formula: C25H29FN2O2
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.22
• IUPAC Name: 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
• SMILES: Cc1ccc(C(=O)NC2CC3CCC2(C)C3(C)C)cc1NC(=O)c1ccccc1F
• InChI: InChI=1S/C25H29FN2O2/c1-15-9-10-16(13-20(15)27-23(30)18-7-5-6-8-19(18)26)22(29)28-21-14-17-11-12-25(21,4)24(17,2)3/h5-10,13,17,21H,11-12,14H2,1-4H3,(H,27,30)(H,28,29)
• InChIKey: PZTXUPWERRUHRZ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?

The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 55687433) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?

The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is Cc1ccc(C(=O)NC2CC3CCC2(C)C3(C)C)cc1NC(=O)c1ccccc1F.

What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?

The InChIKey is PZTXUPWERRUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-15-9-10-16(13-20(15)27-23(30)18-7-5-6-8-19(18)26)22(29)28-21-14-17-11-12-25(21,4)24(17,2)3/h5-10,13,17,21H,11-12,14H2,1-4H3,(H,27,30)(H,28,29).

What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?

3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 55687433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).