Delorazepam

C₁₅H₁₀Cl₂N₂O — CID 17925

About Delorazepam

Delorazepam (PubChem CID 17925) has the molecular formula C₁₅H₁₀Cl₂N₂O and a molecular weight of 305.16 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: Delorazepam
• PubChem CID: 17925
• Molecular Formula: C₁₅H₁₀Cl₂N₂O
• Molecular Weight: 305.16 g/mol
• Exact Mass: 304.02
• IUPAC Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
• SMILES: O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1
• InChI: InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
• InChIKey: CHIFCDOIPRCHCF-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.16
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Delorazepam?

The IUPAC name of Delorazepam (CID 17925) is 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

What is the SMILES notation for Delorazepam?

The canonical SMILES for Delorazepam is O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1.

What is the InChIKey of Delorazepam?

The InChIKey is CHIFCDOIPRCHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20).

What are the key properties of Delorazepam?

Delorazepam has a molecular weight of 305.16 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Delorazepam is sourced from PubChem (CID 17925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17925 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 800 — approved-drug record (CC BY-SA 4.0)

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