2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine

C22H19Cl2N — CID 22980180

IUPAC2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine
SMILESCCc1ccc2c(c1)CNc1ccc(Cl)cc1C2c1ccccc1Cl
InChIInChI=1S/C22H19Cl2N/c1-2-14-7-9-17-15(11-14)13-25-21-10-8-16(23)12-19(21)22(17)18-5-3-4-6-20(18)24/h3-12,22,25H,2,13H2,1H3
InChIKeyLTASCWBJKVIDNT-UHFFFAOYSA-N
MW368.31 g/mol
LogP6.66
Rot. Bonds2

About 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine

2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine (PubChem CID 22980180) has the molecular formula C22H19Cl2N and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine
PubChem CID22980180
Molecular FormulaC22H19Cl2N
Molecular Weight368.31 g/mol
Exact Mass367.09
IUPAC Name2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine
SMILESCCc1ccc2c(c1)CNc1ccc(Cl)cc1C2c1ccccc1Cl
InChIInChI=1S/C22H19Cl2N/c1-2-14-7-9-17-15(11-14)13-25-21-10-8-16(23)12-19(21)22(17)18-5-3-4-6-20(18)24/h3-12,22,25H,2,13H2,1H3
InChIKeyLTASCWBJKVIDNT-UHFFFAOYSA-N
XLogP6.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.31
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine?
The IUPAC name of 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine (CID 22980180) is 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine.
What is the SMILES notation for 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine?
The canonical SMILES for 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine is CCc1ccc2c(c1)CNc1ccc(Cl)cc1C2c1ccccc1Cl.
What is the InChIKey of 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine?
The InChIKey is LTASCWBJKVIDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N/c1-2-14-7-9-17-15(11-14)13-25-21-10-8-16(23)12-19(21)22(17)18-5-3-4-6-20(18)24/h3-12,22,25H,2,13H2,1H3.
What are the key properties of 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine?
2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine has a molecular weight of 368.31 g/mol, XLogP of 6.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine is sourced from PubChem (CID 22980180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).