N-(2-azidoethyl)-5-chloro-2-fluorobenzamide

C9H8ClFN4O — CID 61343785

IUPACN-(2-azidoethyl)-5-chloro-2-fluorobenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN4O/c10-6-1-2-8(11)7(5-6)9(16)13-3-4-14-15-12/h1-2,5H,3-4H2,(H,13,16)
InChIKeyWBBPGVFOGWPVOV-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.52
Rot. Bonds4

About N-(2-azidoethyl)-5-chloro-2-fluorobenzamide

N-(2-azidoethyl)-5-chloro-2-fluorobenzamide (PubChem CID 61343785) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is N-(2-azidoethyl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-5-chloro-2-fluorobenzamide
PubChem CID61343785
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC NameN-(2-azidoethyl)-5-chloro-2-fluorobenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN4O/c10-6-1-2-8(11)7(5-6)9(16)13-3-4-14-15-12/h1-2,5H,3-4H2,(H,13,16)
InChIKeyWBBPGVFOGWPVOV-UHFFFAOYSA-N
XLogP2.52
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
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': '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-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
CID 107677334
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
5-(azidomethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluorobenzamide
CID 146370789
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-(2-azidoethyl)-3-bromo-5-chlorobenzamide
CID 107940769
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-azidoethyl)-5-chloro-2-fluorobenzamide (CID 61343785) is N-(2-azidoethyl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-azidoethyl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-azidoethyl)-5-chloro-2-fluorobenzamide is [N-]=[N+]=NCCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-(2-azidoethyl)-5-chloro-2-fluorobenzamide?
The InChIKey is WBBPGVFOGWPVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c10-6-1-2-8(11)7(5-6)9(16)13-3-4-14-15-12/h1-2,5H,3-4H2,(H,13,16).
What are the key properties of N-(2-azidoethyl)-5-chloro-2-fluorobenzamide?
N-(2-azidoethyl)-5-chloro-2-fluorobenzamide has a molecular weight of 242.64 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 61343785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).