2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide

C8H7F2N3O3 — CID 81310994

IUPAC2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
SMILESNCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F2N3O3/c9-4-1-5(10)8(12-7(14)3-11)6(2-4)13(15)16/h1-2H,3,11H2,(H,12,14)
InChIKeyQXGXTTXDAMUMLJ-UHFFFAOYSA-N
MW231.16 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide

2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide (PubChem CID 81310994) has the molecular formula C8H7F2N3O3 and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
PubChem CID81310994
Molecular FormulaC8H7F2N3O3
Molecular Weight231.16 g/mol
Exact Mass231.05
IUPAC Name2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
SMILESNCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F2N3O3/c9-4-1-5(10)8(12-7(14)3-11)6(2-4)13(15)16/h1-2H,3,11H2,(H,12,14)
InChIKeyQXGXTTXDAMUMLJ-UHFFFAOYSA-N
XLogP0.77
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
CID 81310802
N-[(3,5-difluorophenyl)methyl]-2,4-difluoro-6-nitroaniline
CID 106528437
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The IUPAC name of 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide (CID 81310994) is 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The canonical SMILES for 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide is NCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide?
The InChIKey is QXGXTTXDAMUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O3/c9-4-1-5(10)8(12-7(14)3-11)6(2-4)13(15)16/h1-2H,3,11H2,(H,12,14).
What are the key properties of 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide?
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide has a molecular weight of 231.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide is sourced from PubChem (CID 81310994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).