[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone

C18H15N3O3 — CID 102191579

IUPAC[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C(=O)c3ccccc3N=[N+]=[N-])CC2)cc1
InChIInChI=1S/C18H15N3O3/c1-24-13-8-6-12(7-9-13)16(22)18(10-11-18)17(23)14-4-2-3-5-15(14)20-21-19/h2-9H,10-11H2,1H3
InChIKeyRDVKILPQRFGGTK-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.48
Rot. Bonds6

About [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone

[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone (PubChem CID 102191579) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone
PubChem CID102191579
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(C(=O)c3ccccc3N=[N+]=[N-])CC2)cc1
InChIInChI=1S/C18H15N3O3/c1-24-13-8-6-12(7-9-13)16(22)18(10-11-18)17(23)14-4-2-3-5-15(14)20-21-19/h2-9H,10-11H2,1H3
InChIKeyRDVKILPQRFGGTK-UHFFFAOYSA-N
XLogP4.48
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone 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

methyl 4-[(2-azidobenzoyl)amino]benzoate
CID 102433026
ethyl N-(2-azidobenzoyl)-4-methylbenzenecarboximidate
CID 11347372
2-ethoxyethyl 2-azidobenzoate
CID 13464506
3-azidopropyl 4-methoxybenzoate
CID 11447680
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
2-azido-N-(1-phenylethyl)benzamide
CID 169326494
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
2-chloro-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 86032974
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818

Frequently Asked Questions

What is the IUPAC name of [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone (CID 102191579) is [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(C(=O)c3ccccc3N=[N+]=[N-])CC2)cc1.
What is the InChIKey of [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone?
The InChIKey is RDVKILPQRFGGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-13-8-6-12(7-9-13)16(22)18(10-11-18)17(23)14-4-2-3-5-15(14)20-21-19/h2-9H,10-11H2,1H3.
What are the key properties of [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone?
[1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone has a molecular weight of 321.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azidobenzoyl)cyclopropyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 102191579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).