1-azido-2-phenylbenzene;formamide

C13H12N4O — CID 175577237

IUPAC1-azido-2-phenylbenzene;formamide
SMILESNC=O.[N-]=[N+]=Nc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9N3.CH3NO/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H,(H2,2,3)
InChIKeyCDOOASHRDMTAGX-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.40
Rot. Bonds2

About 1-azido-2-phenylbenzene;formamide

1-azido-2-phenylbenzene;formamide (PubChem CID 175577237) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-azido-2-phenylbenzene;formamide.

Molecular Properties

Compound Name1-azido-2-phenylbenzene;formamide
PubChem CID175577237
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-azido-2-phenylbenzene;formamide
SMILESNC=O.[N-]=[N+]=Nc1ccccc1-c1ccccc1
InChIInChI=1S/C12H9N3.CH3NO/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H,(H2,2,3)
InChIKeyCDOOASHRDMTAGX-UHFFFAOYSA-N
XLogP3.40
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-phenylbenzene;formamide?
The IUPAC name of 1-azido-2-phenylbenzene;formamide (CID 175577237) is 1-azido-2-phenylbenzene;formamide.
What is the SMILES notation for 1-azido-2-phenylbenzene;formamide?
The canonical SMILES for 1-azido-2-phenylbenzene;formamide is NC=O.[N-]=[N+]=Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-azido-2-phenylbenzene;formamide?
The InChIKey is CDOOASHRDMTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3.CH3NO/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1-3/h1-9H;1H,(H2,2,3).
What are the key properties of 1-azido-2-phenylbenzene;formamide?
1-azido-2-phenylbenzene;formamide has a molecular weight of 240.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-phenylbenzene;formamide is sourced from PubChem (CID 175577237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).