7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one

C15H10BrClN2O2 — CID 3676999

IUPAC7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccc(Cl)cc2)=NC1O
InChIInChI=1S/C15H10BrClN2O2/c16-9-3-6-12-11(7-9)13(19-15(21)14(20)18-12)8-1-4-10(17)5-2-8/h1-7,15,21H,(H,18,20)
InChIKeyJNRYGFQYBNCMGQ-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.21
Rot. Bonds1

About 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one

7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 3676999) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID3676999
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccc(Cl)cc2)=NC1O
InChIInChI=1S/C15H10BrClN2O2/c16-9-3-6-12-11(7-9)13(19-15(21)14(20)18-12)8-1-4-10(17)5-2-8/h1-7,15,21H,(H,18,20)
InChIKeyJNRYGFQYBNCMGQ-UHFFFAOYSA-N
XLogP3.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one (CID 3676999) is 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Br)cc2C(c2ccc(Cl)cc2)=NC1O.
What is the InChIKey of 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is JNRYGFQYBNCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-9-3-6-12-11(7-9)13(19-15(21)14(20)18-12)8-1-4-10(17)5-2-8/h1-7,15,21H,(H,18,20).
What are the key properties of 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 365.61 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(4-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3676999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).