N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C23H24F4N4O4 — CID 163803732

About N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 163803732) has the molecular formula C23H24F4N4O4 and a molecular weight of 496.46 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 163803732
• Molecular Formula: C23H24F4N4O4
• Molecular Weight: 496.46 g/mol
• Exact Mass: 496.17
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)[C@@](C)(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n2c1CCC2)C(F)(F)F
• InChI: InChI=1S/C23H24F4N4O4/c1-11-10-13(7-8-14(11)24)29-19(33)17-12(2)16(15-6-5-9-31(15)17)18(32)20(34)30-22(3,21(35)28-4)23(25,26)27/h7-8,10H,5-6,9H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t22-/m1/s1
• InChIKey: NHEUADWLNDMEGO-JOCHJYFZSA-N
• XLogP: 2.81
• TPSA: 109.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.46
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 163803732) is N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)[C@@](C)(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n2c1CCC2)C(F)(F)F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is NHEUADWLNDMEGO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24F4N4O4/c1-11-10-13(7-8-14(11)24)29-19(33)17-12(2)16(15-6-5-9-31(15)17)18(32)20(34)30-22(3,21(35)28-4)23(25,26)27/h7-8,10H,5-6,9H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t22-/m1/s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 496.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-2-methyl-1-[2-oxo-2-[[(2R)-1,1,1-trifluoro-2-methyl-3-(methylamino)-3-oxopropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 163803732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).