2-(3-azidophenyl)-1-phenylethanone;methane

C15H15N3O — CID 167655289

IUPAC2-(3-azidophenyl)-1-phenylethanone;methane
SMILESC.[N-]=[N+]=Nc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11N3O.CH4/c15-17-16-13-8-4-5-11(9-13)10-14(18)12-6-2-1-3-7-12;/h1-9H,10H2;1H4
InChIKeyRDZAYWZHJKLPBK-UHFFFAOYSA-N
MW253.31 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-azidophenyl)-1-phenylethanone;methane

2-(3-azidophenyl)-1-phenylethanone;methane (PubChem CID 167655289) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-azidophenyl)-1-phenylethanone;methane.

Molecular Properties

Compound Name2-(3-azidophenyl)-1-phenylethanone;methane
PubChem CID167655289
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(3-azidophenyl)-1-phenylethanone;methane
SMILESC.[N-]=[N+]=Nc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11N3O.CH4/c15-17-16-13-8-4-5-11(9-13)10-14(18)12-6-2-1-3-7-12;/h1-9H,10H2;1H4
InChIKeyRDZAYWZHJKLPBK-UHFFFAOYSA-N
XLogP4.69
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 2-(3-azidophenyl)-1-phenylethanone;methane?
The IUPAC name of 2-(3-azidophenyl)-1-phenylethanone;methane (CID 167655289) is 2-(3-azidophenyl)-1-phenylethanone;methane.
What is the SMILES notation for 2-(3-azidophenyl)-1-phenylethanone;methane?
The canonical SMILES for 2-(3-azidophenyl)-1-phenylethanone;methane is C.[N-]=[N+]=Nc1cccc(CC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-azidophenyl)-1-phenylethanone;methane?
The InChIKey is RDZAYWZHJKLPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.CH4/c15-17-16-13-8-4-5-11(9-13)10-14(18)12-6-2-1-3-7-12;/h1-9H,10H2;1H4.
What are the key properties of 2-(3-azidophenyl)-1-phenylethanone;methane?
2-(3-azidophenyl)-1-phenylethanone;methane has a molecular weight of 253.31 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenyl)-1-phenylethanone;methane is sourced from PubChem (CID 167655289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).