7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C15H9Cl3N2O — CID 12790028

IUPAC7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyZWWZTFYQCITUTK-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.44
Rot. Bonds1

About 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 12790028) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID12790028
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyZWWZTFYQCITUTK-UHFFFAOYSA-N
XLogP4.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 12790028) is 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ZWWZTFYQCITUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21).
What are the key properties of 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 339.61 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,6-dichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 12790028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).