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

C11H13F2N3O3 — CID 81310098

IUPACN-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13F2N3O3/c1-2-3-14-6-10(17)15-11-8(13)4-7(12)5-9(11)16(18)19/h4-5,14H,2-3,6H2,1H3,(H,15,17)
InChIKeyDNVGBJXVSCOJJL-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.81
Rot. Bonds6

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

N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide (PubChem CID 81310098) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
PubChem CID81310098
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13F2N3O3/c1-2-3-14-6-10(17)15-11-8(13)4-7(12)5-9(11)16(18)19/h4-5,14H,2-3,6H2,1H3,(H,15,17)
InChIKeyDNVGBJXVSCOJJL-UHFFFAOYSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714
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-bromo-4-methyl-5-nitrophenyl)-2-(propylamino)acetamide
CID 104815211
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
CID 81311489
2-[(2,4-difluoro-6-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 81419283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide (CID 81310098) is N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide?
The InChIKey is DNVGBJXVSCOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-2-3-14-6-10(17)15-11-8(13)4-7(12)5-9(11)16(18)19/h4-5,14H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide?
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide has a molecular weight of 273.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 81310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).