8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine

C17H14Cl2N2O — CID 118237504

IUPAC8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1Cl)C(c1ccc(Cl)cc1)=NN=C(C)C2
InChIInChI=1S/C17H14Cl2N2O/c1-10-7-12-8-16(22-2)15(19)9-14(12)17(21-20-10)11-3-5-13(18)6-4-11/h3-6,8-9H,7H2,1-2H3
InChIKeyYRSXDOSZOXNZFZ-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.77
Rot. Bonds2

About 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine

8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine (PubChem CID 118237504) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine
PubChem CID118237504
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1Cl)C(c1ccc(Cl)cc1)=NN=C(C)C2
InChIInChI=1S/C17H14Cl2N2O/c1-10-7-12-8-16(22-2)15(19)9-14(12)17(21-20-10)11-3-5-13(18)6-4-11/h3-6,8-9H,7H2,1-2H3
InChIKeyYRSXDOSZOXNZFZ-UHFFFAOYSA-N
XLogP4.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine?
The IUPAC name of 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine (CID 118237504) is 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine.
What is the SMILES notation for 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine?
The canonical SMILES for 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine is COc1cc2c(cc1Cl)C(c1ccc(Cl)cc1)=NN=C(C)C2.
What is the InChIKey of 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine?
The InChIKey is YRSXDOSZOXNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10-7-12-8-16(22-2)15(19)9-14(12)17(21-20-10)11-3-5-13(18)6-4-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine?
8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine has a molecular weight of 333.22 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4-chlorophenyl)-7-methoxy-4-methyl-5H-2,3-benzodiazepine is sourced from PubChem (CID 118237504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).