RMQTZCVOVMGXPB-UHFFFAOYSA-N

C₂₃H₂₂F₆N₄O₃ — CID 74935673

About RMQTZCVOVMGXPB-UHFFFAOYSA-N

RMQTZCVOVMGXPB-UHFFFAOYSA-N (PubChem CID 74935673) has the molecular formula C₂₃H₂₂F₆N₄O₃ and a molecular weight of 516.44 g/mol. Its IUPAC name is 2-[4-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: RMQTZCVOVMGXPB-UHFFFAOYSA-N
• PubChem CID: 74935673
• Molecular Formula: C₂₃H₂₂F₆N₄O₃
• Molecular Weight: 516.44 g/mol
• Exact Mass: 516.16
• IUPAC Name: 2-[4-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: NC(CC(=O)N1CC(=O)N(CC(=O)NCC(F)(F)F)c2ccccc2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C23H22F6N4O3/c24-16-8-18(26)17(25)6-14(16)5-15(30)7-21(35)32-9-13-3-1-2-4-19(13)33(22(36)11-32)10-20(34)31-12-23(27,28)29/h1-4,6,8,15H,5,7,9-12,30H2,(H,31,34)
• InChIKey: RMQTZCVOVMGXPB-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.44
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RMQTZCVOVMGXPB-UHFFFAOYSA-N?

The IUPAC name of RMQTZCVOVMGXPB-UHFFFAOYSA-N (CID 74935673) is 2-[4-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for RMQTZCVOVMGXPB-UHFFFAOYSA-N?

The canonical SMILES for RMQTZCVOVMGXPB-UHFFFAOYSA-N is NC(CC(=O)N1CC(=O)N(CC(=O)NCC(F)(F)F)c2ccccc2C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of RMQTZCVOVMGXPB-UHFFFAOYSA-N?

The InChIKey is RMQTZCVOVMGXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6N4O3/c24-16-8-18(26)17(25)6-14(16)5-15(30)7-21(35)32-9-13-3-1-2-4-19(13)33(22(36)11-32)10-20(34)31-12-23(27,28)29/h1-4,6,8,15H,5,7,9-12,30H2,(H,31,34).

What are the key properties of RMQTZCVOVMGXPB-UHFFFAOYSA-N?

RMQTZCVOVMGXPB-UHFFFAOYSA-N has a molecular weight of 516.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for RMQTZCVOVMGXPB-UHFFFAOYSA-N is sourced from PubChem (CID 74935673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74935673 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.