N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide

C9H9FN4O2 — CID 107677334

IUPACN-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C9H9FN4O2/c10-8-5-6(15)1-2-7(8)9(16)12-3-4-13-14-11/h1-2,5,15H,3-4H2,(H,12,16)
InChIKeyZATZELWPUUDRJI-UHFFFAOYSA-N
MW224.20 g/mol
LogP1.57
Rot. Bonds4

About N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide

N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677334) has the molecular formula C9H9FN4O2 and a molecular weight of 224.20 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677334
Molecular FormulaC9H9FN4O2
Molecular Weight224.20 g/mol
Exact Mass224.07
IUPAC NameN-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C9H9FN4O2/c10-8-5-6(15)1-2-7(8)9(16)12-3-4-13-14-11/h1-2,5,15H,3-4H2,(H,12,16)
InChIKeyZATZELWPUUDRJI-UHFFFAOYSA-N
XLogP1.57
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
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

N-(2-azidoethyl)-5-chloro-2-fluorobenzamide
CID 61343785
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
N-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide (CID 107677334) is N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide is [N-]=[N+]=NCCNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is ZATZELWPUUDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c10-8-5-6(15)1-2-7(8)9(16)12-3-4-13-14-11/h1-2,5,15H,3-4H2,(H,12,16).
What are the key properties of N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide?
N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 224.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).