4-azido-N-ethyl-2-fluorobenzamide

C9H9FN4O — CID 140535519

IUPAC4-azido-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C9H9FN4O/c1-2-12-9(15)7-4-3-6(13-14-11)5-8(7)10/h3-5H,2H2,1H3,(H,12,15)
InChIKeyIZYUFTHUGPJVLS-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.52
Rot. Bonds3

About 4-azido-N-ethyl-2-fluorobenzamide

4-azido-N-ethyl-2-fluorobenzamide (PubChem CID 140535519) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-azido-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-azido-N-ethyl-2-fluorobenzamide
PubChem CID140535519
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name4-azido-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(N=[N+]=[N-])cc1F
InChIInChI=1S/C9H9FN4O/c1-2-12-9(15)7-4-3-6(13-14-11)5-8(7)10/h3-5H,2H2,1H3,(H,12,15)
InChIKeyIZYUFTHUGPJVLS-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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-azido-N-ethyl-2-methoxybenzamide
CID 140535521
N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
CID 107677334
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
CID 86307324
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
2-[[2-[[4-azido-2-(trifluoromethyl)benzoyl]amino]acetyl]amino]acetic acid
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N-ethyl-2-fluoro-4-(4-oxo-1H-pyridin-2-yl)benzamide
CID 53229627
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
CID 90060790
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-azido-N-ethyl-2-fluorobenzamide (CID 140535519) is 4-azido-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-azido-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-azido-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(N=[N+]=[N-])cc1F.
What is the InChIKey of 4-azido-N-ethyl-2-fluorobenzamide?
The InChIKey is IZYUFTHUGPJVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-2-12-9(15)7-4-3-6(13-14-11)5-8(7)10/h3-5H,2H2,1H3,(H,12,15).
What are the key properties of 4-azido-N-ethyl-2-fluorobenzamide?
4-azido-N-ethyl-2-fluorobenzamide has a molecular weight of 208.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 140535519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).