2-(azidomethyl)-5-fluoro-N-methylbenzamide

C9H9FN4O — CID 91620336

IUPAC2-(azidomethyl)-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1CN=[N+]=[N-]
InChIInChI=1S/C9H9FN4O/c1-12-9(15)8-4-7(10)3-2-6(8)5-13-14-11/h2-4H,5H2,1H3,(H,12,15)
InChIKeyZSXZVLHAXPOREB-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.00
Rot. Bonds3

About 2-(azidomethyl)-5-fluoro-N-methylbenzamide

2-(azidomethyl)-5-fluoro-N-methylbenzamide (PubChem CID 91620336) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-(azidomethyl)-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(azidomethyl)-5-fluoro-N-methylbenzamide
PubChem CID91620336
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name2-(azidomethyl)-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1CN=[N+]=[N-]
InChIInChI=1S/C9H9FN4O/c1-12-9(15)8-4-7(10)3-2-6(8)5-13-14-11/h2-4H,5H2,1H3,(H,12,15)
InChIKeyZSXZVLHAXPOREB-UHFFFAOYSA-N
XLogP2.00
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

4-(azidomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
CID 22929709
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
1-(azidomethyl)-2,4-difluorobenzene;1-(chloromethyl)-2,4-difluorobenzene
CID 158479516
methyl 3-(azidomethyl)-2,6-difluorobenzoate
CID 155573746
4-(azidomethyl)-3-(4-fluorophenyl)benzamide
CID 122623216
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
2-(3-azido-1,2-dihydroxypropyl)-5-fluorobenzoic acid
CID 170826303
methyl 2-[[3-(azidomethyl)-4-fluorophenyl]methyl]benzoate
CID 57006779
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045
3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
CID 146371129
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-(azidomethyl)-5-fluoro-N-methylbenzamide (CID 91620336) is 2-(azidomethyl)-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(azidomethyl)-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(azidomethyl)-5-fluoro-N-methylbenzamide is CNC(=O)c1cc(F)ccc1CN=[N+]=[N-].
What is the InChIKey of 2-(azidomethyl)-5-fluoro-N-methylbenzamide?
The InChIKey is ZSXZVLHAXPOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-12-9(15)8-4-7(10)3-2-6(8)5-13-14-11/h2-4H,5H2,1H3,(H,12,15).
What are the key properties of 2-(azidomethyl)-5-fluoro-N-methylbenzamide?
2-(azidomethyl)-5-fluoro-N-methylbenzamide has a molecular weight of 208.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 91620336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).