2-(1-phenylcyclopropyl)benzoyl azide

C16H13N3O — CID 174819455

IUPAC2-(1-phenylcyclopropyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1C1(c2ccccc2)CC1
InChIInChI=1S/C16H13N3O/c17-19-18-15(20)13-8-4-5-9-14(13)16(10-11-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyOFZMGEJSDDKGDJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.22
Rot. Bonds3

About 2-(1-phenylcyclopropyl)benzoyl azide

2-(1-phenylcyclopropyl)benzoyl azide (PubChem CID 174819455) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(1-phenylcyclopropyl)benzoyl azide.

Molecular Properties

Compound Name2-(1-phenylcyclopropyl)benzoyl azide
PubChem CID174819455
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-(1-phenylcyclopropyl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1C1(c2ccccc2)CC1
InChIInChI=1S/C16H13N3O/c17-19-18-15(20)13-8-4-5-9-14(13)16(10-11-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyOFZMGEJSDDKGDJ-UHFFFAOYSA-N
XLogP4.22
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 2-(1-phenylcyclopropyl)benzoyl azide 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-(1-phenylcyclohexyl)benzoic acid
CID 67822323
benzoyl azide;hydrochloride
CID 174620684
2-(4-methylpiperazine-1-carbonyl)benzoyl azide
CID 162228609
2,3-difluorobenzoyl azide
CID 62661740
4-(1-phenylcyclopropyl)benzoic acid
CID 19600113
2-chloro-6-(1-phenylcyclopropyl)phenol
CID 174471546
3,3-bis(2-hydroxyphenyl)cyclobutane-1,1-dicarboxylic acid
CID 139936621
benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096
1-(3-bromophenyl)cyclobutane-1-carbonyl azide
CID 86653441
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
CID 58934310
phthalic acid azide
CID 70600038
2-oxo-2-phenylacetyl azide
CID 54447915

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopropyl)benzoyl azide?
The IUPAC name of 2-(1-phenylcyclopropyl)benzoyl azide (CID 174819455) is 2-(1-phenylcyclopropyl)benzoyl azide.
What is the SMILES notation for 2-(1-phenylcyclopropyl)benzoyl azide?
The canonical SMILES for 2-(1-phenylcyclopropyl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccccc1C1(c2ccccc2)CC1.
What is the InChIKey of 2-(1-phenylcyclopropyl)benzoyl azide?
The InChIKey is OFZMGEJSDDKGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-19-18-15(20)13-8-4-5-9-14(13)16(10-11-16)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-(1-phenylcyclopropyl)benzoyl azide?
2-(1-phenylcyclopropyl)benzoyl azide has a molecular weight of 263.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopropyl)benzoyl azide is sourced from PubChem (CID 174819455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).