N-(4-azidobutyl)-3-fluorobenzamide

C11H13FN4O — CID 106386699

IUPACN-(4-azidobutyl)-3-fluorobenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN4O/c12-10-5-3-4-9(8-10)11(17)14-6-1-2-7-15-16-13/h3-5,8H,1-2,6-7H2,(H,14,17)
InChIKeyUGKLEXVCAWKMIC-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.65
Rot. Bonds6

About N-(4-azidobutyl)-3-fluorobenzamide

N-(4-azidobutyl)-3-fluorobenzamide (PubChem CID 106386699) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(4-azidobutyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3-fluorobenzamide
PubChem CID106386699
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC NameN-(4-azidobutyl)-3-fluorobenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN4O/c12-10-5-3-4-9(8-10)11(17)14-6-1-2-7-15-16-13/h3-5,8H,1-2,6-7H2,(H,14,17)
InChIKeyUGKLEXVCAWKMIC-UHFFFAOYSA-N
XLogP2.65
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-azidobutyl)-3,4-difluorobenzamide
CID 106386485
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930
N-(4-azidobutyl)-3,4-dihydroxybenzamide
CID 106386706
N-(4-azidobutyl)-2-bromo-3-fluorobenzamide
CID 106386317
3-fluoro-N-octadecylbenzamide
CID 91711883
N-(4-azidobutyl)-3-fluoro-5-nitrobenzamide
CID 106386884
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3-fluorobenzamide?
The IUPAC name of N-(4-azidobutyl)-3-fluorobenzamide (CID 106386699) is N-(4-azidobutyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-azidobutyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-azidobutyl)-3-fluorobenzamide is [N-]=[N+]=NCCCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(4-azidobutyl)-3-fluorobenzamide?
The InChIKey is UGKLEXVCAWKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c12-10-5-3-4-9(8-10)11(17)14-6-1-2-7-15-16-13/h3-5,8H,1-2,6-7H2,(H,14,17).
What are the key properties of N-(4-azidobutyl)-3-fluorobenzamide?
N-(4-azidobutyl)-3-fluorobenzamide has a molecular weight of 236.25 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3-fluorobenzamide is sourced from PubChem (CID 106386699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).