8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine

C16H11Cl2N — CID 13271766

IUPAC8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1Cl)=NCC=C2
InChIInChI=1S/C16H11Cl2N/c17-12-8-7-11-4-3-9-19-16(14(11)10-12)13-5-1-2-6-15(13)18/h1-8,10H,9H2
InChIKeyVKMJMAKCIZBRHA-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.86
Rot. Bonds1

About 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine

8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine (PubChem CID 13271766) has the molecular formula C16H11Cl2N and a molecular weight of 288.18 g/mol. Its IUPAC name is 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine
PubChem CID13271766
Molecular FormulaC16H11Cl2N
Molecular Weight288.18 g/mol
Exact Mass287.03
IUPAC Name8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1Cl)=NCC=C2
InChIInChI=1S/C16H11Cl2N/c17-12-8-7-11-4-3-9-19-16(14(11)10-12)13-5-1-2-6-15(13)18/h1-8,10H,9H2
InChIKeyVKMJMAKCIZBRHA-UHFFFAOYSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine?
The IUPAC name of 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine (CID 13271766) is 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine.
What is the SMILES notation for 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine?
The canonical SMILES for 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine is Clc1ccc2c(c1)C(c1ccccc1Cl)=NCC=C2.
What is the InChIKey of 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine?
The InChIKey is VKMJMAKCIZBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N/c17-12-8-7-11-4-3-9-19-16(14(11)10-12)13-5-1-2-6-15(13)18/h1-8,10H,9H2.
What are the key properties of 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine?
8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine has a molecular weight of 288.18 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine is sourced from PubChem (CID 13271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).