2-(4-chlorophenyl)-1-phenylazepane

C18H20ClN — CID 58293687

IUPAC2-(4-chlorophenyl)-1-phenylazepane
SMILESClc1ccc(C2CCCCCN2c2ccccc2)cc1
InChIInChI=1S/C18H20ClN/c19-16-12-10-15(11-13-16)18-9-5-2-6-14-20(18)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,18H,2,5-6,9,14H2
InChIKeyYEQNEMGVXKHOFQ-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.46
Rot. Bonds2

About 2-(4-chlorophenyl)-1-phenylazepane

2-(4-chlorophenyl)-1-phenylazepane (PubChem CID 58293687) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-phenylazepane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-phenylazepane
PubChem CID58293687
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name2-(4-chlorophenyl)-1-phenylazepane
SMILESClc1ccc(C2CCCCCN2c2ccccc2)cc1
InChIInChI=1S/C18H20ClN/c19-16-12-10-15(11-13-16)18-9-5-2-6-14-20(18)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,18H,2,5-6,9,14H2
InChIKeyYEQNEMGVXKHOFQ-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-phenylazepane?
The IUPAC name of 2-(4-chlorophenyl)-1-phenylazepane (CID 58293687) is 2-(4-chlorophenyl)-1-phenylazepane.
What is the SMILES notation for 2-(4-chlorophenyl)-1-phenylazepane?
The canonical SMILES for 2-(4-chlorophenyl)-1-phenylazepane is Clc1ccc(C2CCCCCN2c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-phenylazepane?
The InChIKey is YEQNEMGVXKHOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-16-12-10-15(11-13-16)18-9-5-2-6-14-20(18)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,18H,2,5-6,9,14H2.
What are the key properties of 2-(4-chlorophenyl)-1-phenylazepane?
2-(4-chlorophenyl)-1-phenylazepane has a molecular weight of 285.82 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-phenylazepane is sourced from PubChem (CID 58293687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).