CID 163384220

C30H28BBrF3N5O3 — CID 163384220

About CID 163384220

CID 163384220 (PubChem CID 163384220) has the molecular formula C30H28BBrF3N5O3 and a molecular weight of 654.30 g/mol.

Molecular Properties

• Compound Name: CID 163384220
• PubChem CID: 163384220
• Molecular Formula: C30H28BBrF3N5O3
• Molecular Weight: 654.30 g/mol
• Exact Mass: 653.14
• IUPAC Name: —
• SMILES: [B]c1nn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c2c1CC(C)C)C[C@@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3
• InChI: InChI=1S/C30H28BBrF3N5O3/c1-15(2)11-21-25(31)37-40-24-14-38(28(42)18-7-10-23(32)22(13-18)30(33,34)35)16(3)12-20(24)29(43)39(27(21)40)19-8-5-17(6-9-19)26(41)36-4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,36,41)/t16-/m1/s1
• InChIKey: LIZXOJCGORGRQT-MRXNPFEDSA-N
• XLogP: 4.21
• TPSA: 88.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.30
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163384220?

The IUPAC name of CID 163384220 (CID 163384220) is not available.

What is the SMILES notation for CID 163384220?

The canonical SMILES for CID 163384220 is [B]c1nn2c3c(c(=O)n(-c4ccc(C(=O)NC)cc4)c2c1CC(C)C)C[C@@H](C)N(C(=O)c1ccc(Br)c(C(F)(F)F)c1)C3.

What is the InChIKey of CID 163384220?

The InChIKey is LIZXOJCGORGRQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C30H28BBrF3N5O3/c1-15(2)11-21-25(31)37-40-24-14-38(28(42)18-7-10-23(32)22(13-18)30(33,34)35)16(3)12-20(24)29(43)39(27(21)40)19-8-5-17(6-9-19)26(41)36-4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,36,41)/t16-/m1/s1.

What are the key properties of CID 163384220?

CID 163384220 has a molecular weight of 654.30 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163384220 is sourced from PubChem (CID 163384220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).