N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

C27H28FN3O2 — CID 155984483

About N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide

N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 155984483) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
• PubChem CID: 155984483
• Molecular Formula: C27H28FN3O2
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
• SMILES: CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC1c1cccc(Cc2ccccc2F)n1
• InChI: InChI=1S/C27H28FN3O2/c1-27(2,30-25(32)19-10-4-3-5-11-19)26(33)31-17-9-16-24(31)23-15-8-13-21(29-23)18-20-12-6-7-14-22(20)28/h3-8,10-15,24H,9,16-18H2,1-2H3,(H,30,32)
• InChIKey: MDRALSDUXRNTRL-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?

The IUPAC name of N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide (CID 155984483) is N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?

The canonical SMILES for N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCC1c1cccc(Cc2ccccc2F)n1.

What is the InChIKey of N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?

The InChIKey is MDRALSDUXRNTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-27(2,30-25(32)19-10-4-3-5-11-19)26(33)31-17-9-16-24(31)23-15-8-13-21(29-23)18-20-12-6-7-14-22(20)28/h3-8,10-15,24H,9,16-18H2,1-2H3,(H,30,32).

What are the key properties of N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide?

N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 155984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).