1-[(2-azidobenzoyl)amino]-3-phenylurea

C14H12N6O2 — CID 169326511

IUPAC1-[(2-azidobenzoyl)amino]-3-phenylurea
SMILES[N-]=[N+]=Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H12N6O2/c15-20-17-12-9-5-4-8-11(12)13(21)18-19-14(22)16-10-6-2-1-3-7-10/h1-9H,(H,18,21)(H2,16,19,22)
InChIKeyZNNKJHUHJLFPSD-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.09
Rot. Bonds3

About 1-[(2-azidobenzoyl)amino]-3-phenylurea

1-[(2-azidobenzoyl)amino]-3-phenylurea (PubChem CID 169326511) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[(2-azidobenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-azidobenzoyl)amino]-3-phenylurea
PubChem CID169326511
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-[(2-azidobenzoyl)amino]-3-phenylurea
SMILES[N-]=[N+]=Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H12N6O2/c15-20-17-12-9-5-4-8-11(12)13(21)18-19-14(22)16-10-6-2-1-3-7-10/h1-9H,(H,18,21)(H2,16,19,22)
InChIKeyZNNKJHUHJLFPSD-UHFFFAOYSA-N
XLogP3.09
TPSA118.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', '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-[(2-azidobenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2-azidobenzoyl)amino]-3-phenylurea (CID 169326511) is 1-[(2-azidobenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2-azidobenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2-azidobenzoyl)amino]-3-phenylurea is [N-]=[N+]=Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(2-azidobenzoyl)amino]-3-phenylurea?
The InChIKey is ZNNKJHUHJLFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c15-20-17-12-9-5-4-8-11(12)13(21)18-19-14(22)16-10-6-2-1-3-7-10/h1-9H,(H,18,21)(H2,16,19,22).
What are the key properties of 1-[(2-azidobenzoyl)amino]-3-phenylurea?
1-[(2-azidobenzoyl)amino]-3-phenylurea has a molecular weight of 296.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-azidobenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 169326511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).