methyl 4-[(2-azidobenzoyl)amino]benzoate

C15H12N4O3 — CID 102433026

IUPACmethyl 4-[(2-azidobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N4O3/c1-22-15(21)10-6-8-11(9-7-10)17-14(20)12-4-2-3-5-13(12)18-19-16/h2-9H,1H3,(H,17,20)
InChIKeyZOSHUVQZDPGOED-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.67
Rot. Bonds4

About methyl 4-[(2-azidobenzoyl)amino]benzoate

methyl 4-[(2-azidobenzoyl)amino]benzoate (PubChem CID 102433026) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 4-[(2-azidobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-azidobenzoyl)amino]benzoate
PubChem CID102433026
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Namemethyl 4-[(2-azidobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2N=[N+]=[N-])cc1
InChIInChI=1S/C15H12N4O3/c1-22-15(21)10-6-8-11(9-7-10)17-14(20)12-4-2-3-5-13(12)18-19-16/h2-9H,1H3,(H,17,20)
InChIKeyZOSHUVQZDPGOED-UHFFFAOYSA-N
XLogP3.67
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl 4-[(2-azidophenyl)sulfonylamino]benzoate
CID 102236482
1-[(2-azidobenzoyl)amino]-3-phenylurea
CID 169326511
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 3-azido-4-hydroxybenzoate
CID 62706001
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
methyl 3-[2-azido-4-[(3-chlorobenzoyl)amino]benzoyl]benzoate
CID 174616314
methane;methyl 3-azido-4-methylbenzoate
CID 167548243
methyl 4-[3-(2-azidophenyl)-3-hydroxybut-1-ynyl]benzoate
CID 166437290

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-azidobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-azidobenzoyl)amino]benzoate (CID 102433026) is methyl 4-[(2-azidobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-azidobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-azidobenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2N=[N+]=[N-])cc1.
What is the InChIKey of methyl 4-[(2-azidobenzoyl)amino]benzoate?
The InChIKey is ZOSHUVQZDPGOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-15(21)10-6-8-11(9-7-10)17-14(20)12-4-2-3-5-13(12)18-19-16/h2-9H,1H3,(H,17,20).
What are the key properties of methyl 4-[(2-azidobenzoyl)amino]benzoate?
methyl 4-[(2-azidobenzoyl)amino]benzoate has a molecular weight of 296.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-azidobenzoyl)amino]benzoate is sourced from PubChem (CID 102433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).