2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide

C10H11F2N3O4 — CID 106239487

IUPAC2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C10H11F2N3O4/c11-6-1-2-7(15(17)18)10(9(6)12)14-3-4-19-5-8(13)16/h1-2,14H,3-5H2,(H2,13,16)
InChIKeyQPNRZBFNFAXGBT-UHFFFAOYSA-N
MW275.21 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide

2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide (PubChem CID 106239487) has the molecular formula C10H11F2N3O4 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
PubChem CID106239487
Molecular FormulaC10H11F2N3O4
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C10H11F2N3O4/c11-6-1-2-7(15(17)18)10(9(6)12)14-3-4-19-5-8(13)16/h1-2,14H,3-5H2,(H2,13,16)
InChIKeyQPNRZBFNFAXGBT-UHFFFAOYSA-N
XLogP0.79
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 50.79
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-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649
2-[2-(2-amino-2-oxoethoxy)ethylamino]-3-nitrobenzoic acid
CID 106237946
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
CID 114153466
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
CID 113410718
2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
CID 62531449
2,3-difluoro-6-nitro-N-(2-phenylsulfanylethyl)aniline
CID 62532646
3-(2,3-difluoro-6-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427624
N-[2-(2,3-difluoro-6-nitroanilino)ethyl]methanesulfonamide
CID 55086018
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
CID 106239852
2,3-difluoro-N-(3-methylsulfonylpropyl)-6-nitroaniline
CID 62532304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide (CID 106239487) is 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide is NC(=O)COCCNc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide?
The InChIKey is QPNRZBFNFAXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O4/c11-6-1-2-7(15(17)18)10(9(6)12)14-3-4-19-5-8(13)16/h1-2,14H,3-5H2,(H2,13,16).
What are the key properties of 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide?
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide has a molecular weight of 275.21 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide is sourced from PubChem (CID 106239487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).