2-azido-N-(2-chloro-5-fluorophenyl)acetamide

C8H6ClFN4O — CID 112707918

IUPAC2-azido-N-(2-chloro-5-fluorophenyl)acetamide
SMILES[N-]=[N+]=NCC(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C8H6ClFN4O/c9-6-2-1-5(10)3-7(6)13-8(15)4-12-14-11/h1-3H,4H2,(H,13,15)
InChIKeyWYXOJHBYEWZGGK-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.73
Rot. Bonds3

About 2-azido-N-(2-chloro-5-fluorophenyl)acetamide

2-azido-N-(2-chloro-5-fluorophenyl)acetamide (PubChem CID 112707918) has the molecular formula C8H6ClFN4O and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-azido-N-(2-chloro-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2-chloro-5-fluorophenyl)acetamide
PubChem CID112707918
Molecular FormulaC8H6ClFN4O
Molecular Weight228.61 g/mol
Exact Mass228.02
IUPAC Name2-azido-N-(2-chloro-5-fluorophenyl)acetamide
SMILES[N-]=[N+]=NCC(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C8H6ClFN4O/c9-6-2-1-5(10)3-7(6)13-8(15)4-12-14-11/h1-3H,4H2,(H,13,15)
InChIKeyWYXOJHBYEWZGGK-UHFFFAOYSA-N
XLogP2.73
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.73
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

2-azido-N-(2,3-dichlorophenyl)acetamide
CID 55136750
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
2-azido-N-(2-fluoro-4-methylphenyl)acetamide
CID 112708251
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
6-[(2-chloro-5-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 107528879
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-chloro-5-fluorophenyl)acetamide?
The IUPAC name of 2-azido-N-(2-chloro-5-fluorophenyl)acetamide (CID 112707918) is 2-azido-N-(2-chloro-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-azido-N-(2-chloro-5-fluorophenyl)acetamide?
The canonical SMILES for 2-azido-N-(2-chloro-5-fluorophenyl)acetamide is [N-]=[N+]=NCC(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-azido-N-(2-chloro-5-fluorophenyl)acetamide?
The InChIKey is WYXOJHBYEWZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O/c9-6-2-1-5(10)3-7(6)13-8(15)4-12-14-11/h1-3H,4H2,(H,13,15).
What are the key properties of 2-azido-N-(2-chloro-5-fluorophenyl)acetamide?
2-azido-N-(2-chloro-5-fluorophenyl)acetamide has a molecular weight of 228.61 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-chloro-5-fluorophenyl)acetamide is sourced from PubChem (CID 112707918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).