2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide

C10H12ClN3O4 — CID 106239649

IUPAC2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O4/c11-7-1-2-9(14(16)17)8(5-7)13-3-4-18-6-10(12)15/h1-2,5,13H,3-4,6H2,(H2,12,15)
InChIKeyIWWYOAPPVRAQLJ-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.16
Rot. Bonds7

About 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide

2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide (PubChem CID 106239649) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
PubChem CID106239649
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O4/c11-7-1-2-9(14(16)17)8(5-7)13-3-4-18-6-10(12)15/h1-2,5,13H,3-4,6H2,(H2,12,15)
InChIKeyIWWYOAPPVRAQLJ-UHFFFAOYSA-N
XLogP1.16
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
CID 106239852
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-nitroaniline
CID 2855013
5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986
5-chloro-N-hexyl-2-nitroaniline
CID 43685977
3-[2-(5-chloro-2-nitroanilino)ethyl]-1,1-dimethylurea
CID 83112560
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
CID 106239190
4-nitro-3-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 82991923
4-[(5-chloro-2-nitroanilino)methyl]phenol
CID 43685982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide (CID 106239649) is 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide is NC(=O)COCCNc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide?
The InChIKey is IWWYOAPPVRAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c11-7-1-2-9(14(16)17)8(5-7)13-3-4-18-6-10(12)15/h1-2,5,13H,3-4,6H2,(H2,12,15).
What are the key properties of 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide?
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide has a molecular weight of 273.68 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide is sourced from PubChem (CID 106239649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).