1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

C17H14Cl2N2O3 — CID 57397339

IUPAC1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NNC(=O)C2
InChIInChI=1S/C17H14Cl2N2O3/c1-23-14-6-10-7-16(22)20-21-17(11(10)8-15(14)24-2)9-3-4-12(18)13(19)5-9/h3-6,8H,7H2,1-2H3,(H,20,22)
InChIKeyOSEJZGSKOGXIIY-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.44
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one (PubChem CID 57397339) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
PubChem CID57397339
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NNC(=O)C2
InChIInChI=1S/C17H14Cl2N2O3/c1-23-14-6-10-7-16(22)20-21-17(11(10)8-15(14)24-2)9-3-4-12(18)13(19)5-9/h3-6,8H,7H2,1-2H3,(H,20,22)
InChIKeyOSEJZGSKOGXIIY-UHFFFAOYSA-N
XLogP3.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one (CID 57397339) is 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one is COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NNC(=O)C2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one?
The InChIKey is OSEJZGSKOGXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-23-14-6-10-7-16(22)20-21-17(11(10)8-15(14)24-2)9-3-4-12(18)13(19)5-9/h3-6,8H,7H2,1-2H3,(H,20,22).
What are the key properties of 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one?
1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one has a molecular weight of 365.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one is sourced from PubChem (CID 57397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).