6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H10Cl2N2O — CID 24788422

IUPAC6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-7-11-13(14(10)17)15(18-8-12(20)19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20)
InChIKeyVPRVKZZQAOZTQB-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.78
Rot. Bonds1

About 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 24788422) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID24788422
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2c(ccc(Cl)c2Cl)N1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-7-11-13(14(10)17)15(18-8-12(20)19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20)
InChIKeyVPRVKZZQAOZTQB-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 24788422) is 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2c(ccc(Cl)c2Cl)N1.
What is the InChIKey of 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VPRVKZZQAOZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-7-11-13(14(10)17)15(18-8-12(20)19-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20).
What are the key properties of 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 305.16 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 24788422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).