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

C17H14Cl2N2 — CID 44563842

IUPAC2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14Cl2N2/c18-14-6-2-12(3-7-14)16-17(21-11-1-10-20-16)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2
InChIKeyFIFPDTWDPKQVCK-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.68
Rot. Bonds2

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

2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine (PubChem CID 44563842) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
PubChem CID44563842
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
SMILESClc1ccc(C2=NCCCN=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14Cl2N2/c18-14-6-2-12(3-7-14)16-17(21-11-1-10-20-16)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2
InChIKeyFIFPDTWDPKQVCK-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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Related Compounds

(E,E)-bis((4-chlorophenyl)methylidene)hydrazine
CID 9566470
N,N'-Bis(4-chlorobenzylidene)ethylenediamine
CID 143703
Benzophenone, 4-chloro-, oxime
CID 5713485
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
2,3-Diphenyl-6,7-dihydro-5H-1,4-diazepine
CID 44563824
3H-2-Benzazepine, 8-chloro-1-phenyl-, 2-oxide
CID 3067280
2-Propyn-1-amine, 3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)-, dihydrochloride
CID 3067283
n,n'-Bis(2,4-dichlorobenzylidene)ethylenediamine
CID 4127522
[Bis-(4-chloro-phenyl)-vinylidene]-methyl-amine
CID 229093
2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)amino]-N,N-dimethylethanamine
CID 21483782
7-Chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 71374370
8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepine
CID 13271760

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine (CID 44563842) is 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine is Clc1ccc(C2=NCCCN=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is FIFPDTWDPKQVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-14-6-2-12(3-7-14)16-17(21-11-1-10-20-16)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2.
What are the key properties of 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine?
2,3-bis(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 2,3-bis(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 44563842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).