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

C15H10Br2N2O — CID 633837

IUPAC7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
InChIKeyDXCMGHBGLWKNQJ-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.00
Rot. Bonds1

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

7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 633837) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID633837
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
InChIKeyDXCMGHBGLWKNQJ-UHFFFAOYSA-N
XLogP4.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 633837) is 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is DXCMGHBGLWKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20).
What are the key properties of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 394.07 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 633837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).