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

C16H11ClFN — CID 13271760

IUPAC8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine
SMILESFc1ccccc1C1=NCC=Cc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClFN/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
InChIKeyLDLDGRWGIIMPKB-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.34
Rot. Bonds1

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

8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine (PubChem CID 13271760) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine
PubChem CID13271760
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC Name8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine
SMILESFc1ccccc1C1=NCC=Cc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClFN/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
InChIKeyLDLDGRWGIIMPKB-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 54.34
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-fluorophenyl)-3H-2-benzazepine?
The IUPAC name of 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine (CID 13271760) is 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine.
What is the SMILES notation for 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine?
The canonical SMILES for 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine is Fc1ccccc1C1=NCC=Cc2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine?
The InChIKey is LDLDGRWGIIMPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/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-fluorophenyl)-3H-2-benzazepine?
8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine has a molecular weight of 271.72 g/mol, XLogP of 4.34, 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-fluorophenyl)-3H-2-benzazepine is sourced from PubChem (CID 13271760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).