4-azido-3-fluorobenzamide

C7H5FN4O — CID 80583653

IUPAC4-azido-3-fluorobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C7H5FN4O/c8-5-3-4(7(9)13)1-2-6(5)11-12-10/h1-3H,(H2,9,13)
InChIKeyGAPANHNKIZVOAI-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.87
Rot. Bonds2

About 4-azido-3-fluorobenzamide

4-azido-3-fluorobenzamide (PubChem CID 80583653) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 4-azido-3-fluorobenzamide.

Molecular Properties

Compound Name4-azido-3-fluorobenzamide
PubChem CID80583653
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name4-azido-3-fluorobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C7H5FN4O/c8-5-3-4(7(9)13)1-2-6(5)11-12-10/h1-3H,(H2,9,13)
InChIKeyGAPANHNKIZVOAI-UHFFFAOYSA-N
XLogP1.87
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.87
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-3-bromobenzamide
CID 82802325
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
1-azido-2-fluoro-4-methylsulfonylbenzene
CID 130568437
1-azido-4-ethynyl-2-fluorobenzene
CID 151487083
4-ethenyl-3-fluorobenzamide
CID 154814877
3-fluoro-4-(2-hydroxyethyl)benzamide
CID 175907153
3-fluoro-4-nitrobenzamide
CID 11423967
4-(azidomethyl)-3-(4-fluorophenyl)benzamide
CID 122623216
(3-azido-4-fluorophenyl) acetate
CID 152536119
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-fluoro-4-nitrobenzamide;urea
CID 162262537
3-cyano-4-fluorobenzamide
CID 68505906

Frequently Asked Questions

What is the IUPAC name of 4-azido-3-fluorobenzamide?
The IUPAC name of 4-azido-3-fluorobenzamide (CID 80583653) is 4-azido-3-fluorobenzamide.
What is the SMILES notation for 4-azido-3-fluorobenzamide?
The canonical SMILES for 4-azido-3-fluorobenzamide is [N-]=[N+]=Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-azido-3-fluorobenzamide?
The InChIKey is GAPANHNKIZVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-3-4(7(9)13)1-2-6(5)11-12-10/h1-3H,(H2,9,13).
What are the key properties of 4-azido-3-fluorobenzamide?
4-azido-3-fluorobenzamide has a molecular weight of 180.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-fluorobenzamide is sourced from PubChem (CID 80583653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).