2-azido-N-benzoyl-N-propan-2-ylbenzamide

C17H16N4O2 — CID 11150970

IUPAC2-azido-N-benzoyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccccc1)C(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C17H16N4O2/c1-12(2)21(16(22)13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19-20-18/h3-12H,1-2H3
InChIKeySGGRCVSFKOOJGF-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.32
Rot. Bonds4

About 2-azido-N-benzoyl-N-propan-2-ylbenzamide

2-azido-N-benzoyl-N-propan-2-ylbenzamide (PubChem CID 11150970) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-azido-N-benzoyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-azido-N-benzoyl-N-propan-2-ylbenzamide
PubChem CID11150970
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-azido-N-benzoyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccccc1)C(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C17H16N4O2/c1-12(2)21(16(22)13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19-20-18/h3-12H,1-2H3
InChIKeySGGRCVSFKOOJGF-UHFFFAOYSA-N
XLogP4.32
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-N-benzoyl-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azido-N-(1-phenylethyl)benzamide
CID 169326494
[1-(2-azidobenzoyl)cyclopropyl]-phenylmethanone
CID 166437402
2-azido-N,N-bis(prop-2-enyl)benzamide
CID 11118224
2-azido-N-(2-azidobenzoyl)benzamide
CID 15319919
2-azido-N-benzoyl-N-(oxan-2-ylmethyl)benzamide
CID 102303815
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
N-(2-azidophenyl)-2-methylpropanamide
CID 152547444
3-azido-2-(2-oxo-1,2-diphenylethyl)benzoic acid
CID 150530544
[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone
CID 102191579
2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 169325921
methyl 4-[(2-azidobenzoyl)amino]benzoate
CID 102433026
2-ethoxyethyl 2-azidobenzoate
CID 13464506

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-benzoyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-azido-N-benzoyl-N-propan-2-ylbenzamide (CID 11150970) is 2-azido-N-benzoyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-azido-N-benzoyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-azido-N-benzoyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccccc1)C(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 2-azido-N-benzoyl-N-propan-2-ylbenzamide?
The InChIKey is SGGRCVSFKOOJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(2)21(16(22)13-8-4-3-5-9-13)17(23)14-10-6-7-11-15(14)19-20-18/h3-12H,1-2H3.
What are the key properties of 2-azido-N-benzoyl-N-propan-2-ylbenzamide?
2-azido-N-benzoyl-N-propan-2-ylbenzamide has a molecular weight of 308.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-benzoyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 11150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).