8-chloro-1-phenyl-3H-2-benzazepine

C16H12ClN — CID 13271757

IUPAC8-chloro-1-phenyl-3H-2-benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCC=C2
InChIInChI=1S/C16H12ClN/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13/h1-9,11H,10H2
InChIKeyHWPXLEMJGRXRKT-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.20
Rot. Bonds1

About 8-chloro-1-phenyl-3H-2-benzazepine

8-chloro-1-phenyl-3H-2-benzazepine (PubChem CID 13271757) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 8-chloro-1-phenyl-3H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-1-phenyl-3H-2-benzazepine
PubChem CID13271757
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name8-chloro-1-phenyl-3H-2-benzazepine
SMILESClc1ccc2c(c1)C(c1ccccc1)=NCC=C2
InChIInChI=1S/C16H12ClN/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13/h1-9,11H,10H2
InChIKeyHWPXLEMJGRXRKT-UHFFFAOYSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-phenyl-3H-2-benzazepine?
The IUPAC name of 8-chloro-1-phenyl-3H-2-benzazepine (CID 13271757) is 8-chloro-1-phenyl-3H-2-benzazepine.
What is the SMILES notation for 8-chloro-1-phenyl-3H-2-benzazepine?
The canonical SMILES for 8-chloro-1-phenyl-3H-2-benzazepine is Clc1ccc2c(c1)C(c1ccccc1)=NCC=C2.
What is the InChIKey of 8-chloro-1-phenyl-3H-2-benzazepine?
The InChIKey is HWPXLEMJGRXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13/h1-9,11H,10H2.
What are the key properties of 8-chloro-1-phenyl-3H-2-benzazepine?
8-chloro-1-phenyl-3H-2-benzazepine has a molecular weight of 253.73 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-phenyl-3H-2-benzazepine is sourced from PubChem (CID 13271757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).