RXMZANQOVRGQBY-KTQQKIMGSA-N

C₂₂H₃₀F₃N₃O₃Si — CID 140781143

About RXMZANQOVRGQBY-KTQQKIMGSA-N

RXMZANQOVRGQBY-KTQQKIMGSA-N (PubChem CID 140781143) has the molecular formula C₂₂H₃₀F₃N₃O₃Si and a molecular weight of 469.58 g/mol. Its IUPAC name is (3S)-N-[1-(4,4-difluorocyclohexyl)-2-(3-fluoro-4-trimethylsilylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: RXMZANQOVRGQBY-KTQQKIMGSA-N
• PubChem CID: 140781143
• Molecular Formula: C₂₂H₃₀F₃N₃O₃Si
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.20
• IUPAC Name: (3S)-N-[1-(4,4-difluorocyclohexyl)-2-(3-fluoro-4-trimethylsilylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: C[Si](C)(C)c1ccc(NC(=O)C(NC(=O)[C@@H]2CNC(=O)C2)C2CCC(F)(F)CC2)cc1F
• InChI: InChI=1S/C22H30F3N3O3Si/c1-32(2,3)17-5-4-15(11-16(17)23)27-21(31)19(13-6-8-22(24,25)9-7-13)28-20(30)14-10-18(29)26-12-14/h4-5,11,13-14,19H,6-10,12H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)/t14-,19?/m0/s1
• InChIKey: RXMZANQOVRGQBY-KTQQKIMGSA-N
• XLogP: 2.76
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of RXMZANQOVRGQBY-KTQQKIMGSA-N?

The IUPAC name of RXMZANQOVRGQBY-KTQQKIMGSA-N (CID 140781143) is (3S)-N-[1-(4,4-difluorocyclohexyl)-2-(3-fluoro-4-trimethylsilylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for RXMZANQOVRGQBY-KTQQKIMGSA-N?

The canonical SMILES for RXMZANQOVRGQBY-KTQQKIMGSA-N is C[Si](C)(C)c1ccc(NC(=O)C(NC(=O)[C@@H]2CNC(=O)C2)C2CCC(F)(F)CC2)cc1F.

What is the InChIKey of RXMZANQOVRGQBY-KTQQKIMGSA-N?

The InChIKey is RXMZANQOVRGQBY-KTQQKIMGSA-N. The full InChI is InChI=1S/C22H30F3N3O3Si/c1-32(2,3)17-5-4-15(11-16(17)23)27-21(31)19(13-6-8-22(24,25)9-7-13)28-20(30)14-10-18(29)26-12-14/h4-5,11,13-14,19H,6-10,12H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)/t14-,19?/m0/s1.

What are the key properties of RXMZANQOVRGQBY-KTQQKIMGSA-N?

RXMZANQOVRGQBY-KTQQKIMGSA-N has a molecular weight of 469.58 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for RXMZANQOVRGQBY-KTQQKIMGSA-N is sourced from PubChem (CID 140781143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140781143 — identifiers, structure, computed properties (public domain)

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