1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine

C15H13ClN2 — CID 154085559

IUPAC1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
SMILESClN1CCN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13ClN2/c16-18-11-10-17-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-9H,10-11H2
InChIKeyJLRZIHHEUNSVER-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.50
Rot. Bonds1

About 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine

1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 154085559) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID154085559
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
SMILESClN1CCN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13ClN2/c16-18-11-10-17-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-9H,10-11H2
InChIKeyJLRZIHHEUNSVER-UHFFFAOYSA-N
XLogP3.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine (CID 154085559) is 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine is ClN1CCN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is JLRZIHHEUNSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-18-11-10-17-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-9H,10-11H2.
What are the key properties of 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 256.74 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 154085559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).