2-azido-N-(2,3-dichlorophenyl)acetamide

C8H6Cl2N4O — CID 55136750

IUPAC2-azido-N-(2,3-dichlorophenyl)acetamide
SMILES[N-]=[N+]=NCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2N4O/c9-5-2-1-3-6(8(5)10)13-7(15)4-12-14-11/h1-3H,4H2,(H,13,15)
InChIKeyZRZMKRMSFRJGGF-UHFFFAOYSA-N
MW245.07 g/mol
LogP3.24
Rot. Bonds3

About 2-azido-N-(2,3-dichlorophenyl)acetamide

2-azido-N-(2,3-dichlorophenyl)acetamide (PubChem CID 55136750) has the molecular formula C8H6Cl2N4O and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-azido-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2,3-dichlorophenyl)acetamide
PubChem CID55136750
Molecular FormulaC8H6Cl2N4O
Molecular Weight245.07 g/mol
Exact Mass243.99
IUPAC Name2-azido-N-(2,3-dichlorophenyl)acetamide
SMILES[N-]=[N+]=NCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2N4O/c9-5-2-1-3-6(8(5)10)13-7(15)4-12-14-11/h1-3H,4H2,(H,13,15)
InChIKeyZRZMKRMSFRJGGF-UHFFFAOYSA-N
XLogP3.24
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 53.24
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-chloro-5-fluorophenyl)acetamide
CID 112707918
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
[2-(2,3-dichloroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771773
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-azido-N-(2,3-dichlorophenyl)acetamide (CID 55136750) is 2-azido-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-azido-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-azido-N-(2,3-dichlorophenyl)acetamide is [N-]=[N+]=NCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-azido-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is ZRZMKRMSFRJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4O/c9-5-2-1-3-6(8(5)10)13-7(15)4-12-14-11/h1-3H,4H2,(H,13,15).
What are the key properties of 2-azido-N-(2,3-dichlorophenyl)acetamide?
2-azido-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 245.07 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 55136750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).