2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

C25H29ClFN3O3 — CID 93197204

About 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide

2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 93197204) has the molecular formula C25H29ClFN3O3 and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
• PubChem CID: 93197204
• Molecular Formula: C25H29ClFN3O3
• Molecular Weight: 473.98 g/mol
• Exact Mass: 473.19
• IUPAC Name: 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
• SMILES: CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2cccc(F)c2)CC1
• InChI: InChI=1S/C25H29ClFN3O3/c1-16(2)15-28-24(32)22(29-23(31)20-8-3-4-9-21(20)26)17-10-12-30(13-11-17)25(33)18-6-5-7-19(27)14-18/h3-9,14,16-17,22H,10-13,15H2,1-2H3,(H,28,32)(H,29,31)/t22-/m1/s1
• InChIKey: ZHAFEIYWQQSMKI-JOCHJYFZSA-N
• XLogP: 3.90
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.98
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?

The IUPAC name of 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 93197204) is 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide.

What is the SMILES notation for 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?

The canonical SMILES for 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2cccc(F)c2)CC1.

What is the InChIKey of 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?

The InChIKey is ZHAFEIYWQQSMKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29ClFN3O3/c1-16(2)15-28-24(32)22(29-23(31)20-8-3-4-9-21(20)26)17-10-12-30(13-11-17)25(33)18-6-5-7-19(27)14-18/h3-9,14,16-17,22H,10-13,15H2,1-2H3,(H,28,32)(H,29,31)/t22-/m1/s1.

What are the key properties of 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide?

2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 473.98 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93197204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).