Nordiazepam

C₁₅H₁₁ClN₂O — CID 2997

About Nordiazepam

Nordiazepam (PubChem CID 2997) has the molecular formula C₁₅H₁₁ClN₂O and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: Nordiazepam
• PubChem CID: 2997
• Molecular Formula: C₁₅H₁₁ClN₂O
• Molecular Weight: 270.72 g/mol
• Exact Mass: 270.06
• IUPAC Name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
• SMILES: O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
• InChI: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
• InChIKey: AKPLHCDWDRPJGD-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.72
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Nordiazepam?

The IUPAC name of Nordiazepam (CID 2997) is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

What is the SMILES notation for Nordiazepam?

The canonical SMILES for Nordiazepam is O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1.

What is the InChIKey of Nordiazepam?

The InChIKey is AKPLHCDWDRPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).

What are the key properties of Nordiazepam?

Nordiazepam has a molecular weight of 270.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Nordiazepam is sourced from PubChem (CID 2997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2997 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 816 — approved-drug record (CC BY-SA 4.0)

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