2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine

C17H14Cl2N2 — CID 25110809

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccccc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2/c18-13-8-6-12(7-9-13)16-17(21-11-3-10-20-16)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2
InChIKeyDDXOEFCWUNIMJN-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.68
Rot. Bonds2

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine (PubChem CID 25110809) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
PubChem CID25110809
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccccc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2/c18-13-8-6-12(7-9-13)16-17(21-11-3-10-20-16)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2
InChIKeyDDXOEFCWUNIMJN-UHFFFAOYSA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine (CID 25110809) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine is Clc1ccc(C2=NCCCN=C2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is DDXOEFCWUNIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-13-8-6-12(7-9-13)16-17(21-11-3-10-20-16)14-4-1-2-5-15(14)19/h1-2,4-9H,3,10-11H2.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine has a molecular weight of 317.22 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 25110809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).