2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide

C9H9F2N3O4 — CID 112672828

IUPAC2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C9H9F2N3O4/c10-6-2-7(11)8(14(16)17)1-5(6)3-13-18-4-9(12)15/h1-2,13H,3-4H2,(H2,12,15)
InChIKeyDVENMWGQKPNVDN-UHFFFAOYSA-N
MW261.18 g/mol
LogP0.38
Rot. Bonds6

About 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide

2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide (PubChem CID 112672828) has the molecular formula C9H9F2N3O4 and a molecular weight of 261.18 g/mol. Its IUPAC name is 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide
PubChem CID112672828
Molecular FormulaC9H9F2N3O4
Molecular Weight261.18 g/mol
Exact Mass261.06
IUPAC Name2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C9H9F2N3O4/c10-6-2-7(11)8(14(16)17)1-5(6)3-13-18-4-9(12)15/h1-2,13H,3-4H2,(H2,12,15)
InChIKeyDVENMWGQKPNVDN-UHFFFAOYSA-N
XLogP0.38
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide (CID 112672828) is 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide is NC(=O)CONCc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide?
The InChIKey is DVENMWGQKPNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O4/c10-6-2-7(11)8(14(16)17)1-5(6)3-13-18-4-9(12)15/h1-2,13H,3-4H2,(H2,12,15).
What are the key properties of 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide?
2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide has a molecular weight of 261.18 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluoro-5-nitrophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112672828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).