7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride

C15H14BrCl2NO — CID 22760002

IUPAC7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCl.Clc1ccc(C2NCCOc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H13BrClNO.ClH/c16-11-3-6-14-13(9-11)15(18-7-8-19-14)10-1-4-12(17)5-2-10;/h1-6,9,15,18H,7-8H2;1H
InChIKeyFGRPTXMZZNZEBF-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.60
Rot. Bonds1

About 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride

7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (PubChem CID 22760002) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.

Molecular Properties

Compound Name7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
PubChem CID22760002
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCl.Clc1ccc(C2NCCOc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H13BrClNO.ClH/c16-11-3-6-14-13(9-11)15(18-7-8-19-14)10-1-4-12(17)5-2-10;/h1-6,9,15,18H,7-8H2;1H
InChIKeyFGRPTXMZZNZEBF-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The IUPAC name of 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (CID 22760002) is 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.
What is the SMILES notation for 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The canonical SMILES for 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is Cl.Clc1ccc(C2NCCOc3ccc(Br)cc32)cc1.
What is the InChIKey of 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The InChIKey is FGRPTXMZZNZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO.ClH/c16-11-3-6-14-13(9-11)15(18-7-8-19-14)10-1-4-12(17)5-2-10;/h1-6,9,15,18H,7-8H2;1H.
What are the key properties of 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride has a molecular weight of 375.09 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is sourced from PubChem (CID 22760002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).