4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

C31H34FN3O3 — CID 19689814

About 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 19689814) has the molecular formula C31H34FN3O3 and a molecular weight of 515.63 g/mol. Its IUPAC name is 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
• PubChem CID: 19689814
• Molecular Formula: C31H34FN3O3
• Molecular Weight: 515.63 g/mol
• Exact Mass: 515.26
• IUPAC Name: 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
• SMILES: CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccc(C)c(C)c2)cc1
• InChI: InChI=1S/C31H34FN3O3/c1-21-4-13-29(20-22(21)2)35(31(38)26-7-11-28(12-8-26)33-23(3)36)19-18-34-16-14-25(15-17-34)30(37)24-5-9-27(32)10-6-24/h4-13,20,25H,14-19H2,1-3H3,(H,33,36)
• InChIKey: UYGZEVVBUZVEEE-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.63
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The IUPAC name of 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (CID 19689814) is 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The canonical SMILES for 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccc(C)c(C)c2)cc1.

What is the InChIKey of 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The InChIKey is UYGZEVVBUZVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN3O3/c1-21-4-13-29(20-22(21)2)35(31(38)26-7-11-28(12-8-26)33-23(3)36)19-18-34-16-14-25(15-17-34)30(37)24-5-9-27(32)10-6-24/h4-13,20,25H,14-19H2,1-3H3,(H,33,36).

What are the key properties of 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 515.63 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-(3,4-dimethylphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 19689814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).