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

C17H15ClN2 — CID 44563868

IUPAC2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H15ClN2/c18-15-9-7-14(8-10-15)17-16(19-11-4-12-20-17)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2
InChIKeyQIJBXSLGYBLQJZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.02
Rot. Bonds2

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

2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine (PubChem CID 44563868) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
PubChem CID44563868
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H15ClN2/c18-15-9-7-14(8-10-15)17-16(19-11-4-12-20-17)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2
InChIKeyQIJBXSLGYBLQJZ-UHFFFAOYSA-N
XLogP4.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine (CID 44563868) is 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine is Clc1ccc(C2=NCCCN=C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is QIJBXSLGYBLQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-15-9-7-14(8-10-15)17-16(19-11-4-12-20-17)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine?
2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine has a molecular weight of 282.77 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyl-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 44563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).