N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide

C10H11FN4O2 — CID 107016285

IUPACN-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H11FN4O2/c11-7-2-3-8(9(16)6-7)10(17)13-4-1-5-14-15-12/h2-3,6,16H,1,4-5H2,(H,13,17)
InChIKeySNWWOWPYCMSMJE-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.96
Rot. Bonds5

About N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide

N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide (PubChem CID 107016285) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
PubChem CID107016285
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC NameN-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C10H11FN4O2/c11-7-2-3-8(9(16)6-7)10(17)13-4-1-5-14-15-12/h2-3,6,16H,1,4-5H2,(H,13,17)
InChIKeySNWWOWPYCMSMJE-UHFFFAOYSA-N
XLogP1.96
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.96
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-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-(3-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829625
N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
CID 107677334
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide (CID 107016285) is N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide is [N-]=[N+]=NCCCNC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is SNWWOWPYCMSMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c11-7-2-3-8(9(16)6-7)10(17)13-4-1-5-14-15-12/h2-3,6,16H,1,4-5H2,(H,13,17).
What are the key properties of N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide?
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 238.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).