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

C17H13Cl2NO — CID 13271770

IUPAC8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine
SMILESCOC1C=Cc2ccc(Cl)cc2C(c2ccccc2Cl)=N1
InChIInChI=1S/C17H13Cl2NO/c1-21-16-9-7-11-6-8-12(18)10-14(11)17(20-16)13-4-2-3-5-15(13)19/h2-10,16H,1H3
InChIKeyANCSQWWBLLWPTR-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.83
Rot. Bonds2

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

8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine (PubChem CID 13271770) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine.

Molecular Properties

Compound Name8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine
PubChem CID13271770
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine
SMILESCOC1C=Cc2ccc(Cl)cc2C(c2ccccc2Cl)=N1
InChIInChI=1S/C17H13Cl2NO/c1-21-16-9-7-11-6-8-12(18)10-14(11)17(20-16)13-4-2-3-5-15(13)19/h2-10,16H,1H3
InChIKeyANCSQWWBLLWPTR-UHFFFAOYSA-N
XLogP4.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine?
The IUPAC name of 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine (CID 13271770) is 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine.
What is the SMILES notation for 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine?
The canonical SMILES for 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine is COC1C=Cc2ccc(Cl)cc2C(c2ccccc2Cl)=N1.
What is the InChIKey of 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine?
The InChIKey is ANCSQWWBLLWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-21-16-9-7-11-6-8-12(18)10-14(11)17(20-16)13-4-2-3-5-15(13)19/h2-10,16H,1H3.
What are the key properties of 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine?
8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine has a molecular weight of 318.20 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine is sourced from PubChem (CID 13271770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).