1-benzyl-4-bromo-3-diazoindol-2-one

C15H10BrN3O — CID 151837643

IUPAC1-benzyl-4-bromo-3-diazoindol-2-one
SMILES[N-]=[N+]=C1C(=O)N(Cc2ccccc2)c2cccc(Br)c21
InChIInChI=1S/C15H10BrN3O/c16-11-7-4-8-12-13(11)14(18-17)15(20)19(12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeySFZNJTRWNXFKCN-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.01
Rot. Bonds2

About 1-benzyl-4-bromo-3-diazoindol-2-one

1-benzyl-4-bromo-3-diazoindol-2-one (PubChem CID 151837643) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 1-benzyl-4-bromo-3-diazoindol-2-one.

Molecular Properties

Compound Name1-benzyl-4-bromo-3-diazoindol-2-one
PubChem CID151837643
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name1-benzyl-4-bromo-3-diazoindol-2-one
SMILES[N-]=[N+]=C1C(=O)N(Cc2ccccc2)c2cccc(Br)c21
InChIInChI=1S/C15H10BrN3O/c16-11-7-4-8-12-13(11)14(18-17)15(20)19(12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeySFZNJTRWNXFKCN-UHFFFAOYSA-N
XLogP3.01
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 73294017
(3R)-3-amino-1-benzyl-4-bromo-3-methylindol-2-one
CID 57379288
2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid
CID 16777655
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
1-benzyl-3-(4-bromophenyl)iminoindol-2-one
CID 24799240
(3S)-1-benzyl-4-bromo-3-hydroxy-3-phenacylindol-2-one
CID 72697843
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225
4-bromo-1-(2,4-dimethylpentyl)indole-2,3-dione
CID 114200285
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274
4-bromo-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 54937122
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-bromo-3-diazoindol-2-one?
The IUPAC name of 1-benzyl-4-bromo-3-diazoindol-2-one (CID 151837643) is 1-benzyl-4-bromo-3-diazoindol-2-one.
What is the SMILES notation for 1-benzyl-4-bromo-3-diazoindol-2-one?
The canonical SMILES for 1-benzyl-4-bromo-3-diazoindol-2-one is [N-]=[N+]=C1C(=O)N(Cc2ccccc2)c2cccc(Br)c21.
What is the InChIKey of 1-benzyl-4-bromo-3-diazoindol-2-one?
The InChIKey is SFZNJTRWNXFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-7-4-8-12-13(11)14(18-17)15(20)19(12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-4-bromo-3-diazoindol-2-one?
1-benzyl-4-bromo-3-diazoindol-2-one has a molecular weight of 328.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-bromo-3-diazoindol-2-one is sourced from PubChem (CID 151837643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).