2-(3-azidopropoxy)benzamide

C10H12N4O2 — CID 61396560

IUPAC2-(3-azidopropoxy)benzamide
SMILES[N-]=[N+]=NCCCOc1ccccc1C(N)=O
InChIInChI=1S/C10H12N4O2/c11-10(15)8-4-1-2-5-9(8)16-7-3-6-13-14-12/h1-2,4-5H,3,6-7H2,(H2,11,15)
InChIKeyINKPAEAGMFNAFX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.86
Rot. Bonds6

About 2-(3-azidopropoxy)benzamide

2-(3-azidopropoxy)benzamide (PubChem CID 61396560) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(3-azidopropoxy)benzamide.

Molecular Properties

Compound Name2-(3-azidopropoxy)benzamide
PubChem CID61396560
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(3-azidopropoxy)benzamide
SMILES[N-]=[N+]=NCCCOc1ccccc1C(N)=O
InChIInChI=1S/C10H12N4O2/c11-10(15)8-4-1-2-5-9(8)16-7-3-6-13-14-12/h1-2,4-5H,3,6-7H2,(H2,11,15)
InChIKeyINKPAEAGMFNAFX-UHFFFAOYSA-N
XLogP1.86
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
CID 175505955
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
2-(2-oxoethoxy)benzamide
CID 21273663
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
CID 7702018
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropoxy)benzamide?
The IUPAC name of 2-(3-azidopropoxy)benzamide (CID 61396560) is 2-(3-azidopropoxy)benzamide.
What is the SMILES notation for 2-(3-azidopropoxy)benzamide?
The canonical SMILES for 2-(3-azidopropoxy)benzamide is [N-]=[N+]=NCCCOc1ccccc1C(N)=O.
What is the InChIKey of 2-(3-azidopropoxy)benzamide?
The InChIKey is INKPAEAGMFNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-10(15)8-4-1-2-5-9(8)16-7-3-6-13-14-12/h1-2,4-5H,3,6-7H2,(H2,11,15).
What are the key properties of 2-(3-azidopropoxy)benzamide?
2-(3-azidopropoxy)benzamide has a molecular weight of 220.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropoxy)benzamide is sourced from PubChem (CID 61396560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).