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

C16H15BrN2O — CID 44724766

IUPAC7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C16H15BrN2O/c1-19-10-15(20)18-14-8-7-12(17)9-13(14)16(19)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyLBJAWBPKAXABHO-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.42
Rot. Bonds1

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

7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 44724766) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID44724766
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCN1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C16H15BrN2O/c1-19-10-15(20)18-14-8-7-12(17)9-13(14)16(19)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyLBJAWBPKAXABHO-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 44724766) is 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CN1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is LBJAWBPKAXABHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-19-10-15(20)18-14-8-7-12(17)9-13(14)16(19)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,18,20).
What are the key properties of 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 44724766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).