7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H11BrN2O2 — CID 627325

IUPAC7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1O
InChIInChI=1S/C15H11BrN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
InChIKeyPOAUVEHBXZCMCD-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.56
Rot. Bonds1

About 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 627325) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID627325
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1O
InChIInChI=1S/C15H11BrN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
InChIKeyPOAUVEHBXZCMCD-UHFFFAOYSA-N
XLogP2.56
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenazepam
CID 40113
7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 12947024
3-Hydroxyphenazepam
CID 125820
7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
CID 76167
7-Bromo-5-(3-bromophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 633837
7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 627432
3-Hydroxy-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 614001
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 625577
Acetic acid 7-bromo-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
CID 629081
rac-7-bromo-5-(2-chlorophenyl)-3-ethoxy-1H-benzo[e][1,4]diazepin-2(3H)-one
CID 5089026
7-Bromo-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 44385247
(3S)-7-bromo-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 57938606

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 627325) is 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1O.
What is the InChIKey of 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is POAUVEHBXZCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19).
What are the key properties of 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 331.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 627325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).