N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide

C8H5BrF2N2O3 — CID 58381574

IUPACN-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])C(F)F
InChIInChI=1S/C8H5BrF2N2O3/c9-4-1-2-5(6(3-4)13(15)16)12-8(14)7(10)11/h1-3,7H,(H,12,14)
InChIKeyGAJUXZBOYWAIRM-UHFFFAOYSA-N
MW295.04 g/mol
LogP2.56
Rot. Bonds3

About N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide

N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide (PubChem CID 58381574) has the molecular formula C8H5BrF2N2O3 and a molecular weight of 295.04 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
PubChem CID58381574
Molecular FormulaC8H5BrF2N2O3
Molecular Weight295.04 g/mol
Exact Mass293.95
IUPAC NameN-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])C(F)F
InChIInChI=1S/C8H5BrF2N2O3/c9-4-1-2-5(6(3-4)13(15)16)12-8(14)7(10)11/h1-3,7H,(H,12,14)
InChIKeyGAJUXZBOYWAIRM-UHFFFAOYSA-N
XLogP2.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.04
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-bromo-2-nitrophenyl)propanamide
CID 43711578
(2R)-N-(4-bromo-2-nitrophenyl)-2-methoxypropanamide
CID 177353774
(4-bromo-2-nitrophenyl)urea
CID 54074030
N-(4-bromo-2-nitrophenyl)-3-chloro-2-methylpropanamide
CID 55110433
2-amino-N-(4-bromo-2-nitrophenyl)-3-methylpentanamide
CID 43711584
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 43711570
N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
CID 43711563
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide (CID 58381574) is N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide is O=C(Nc1ccc(Br)cc1[N+](=O)[O-])C(F)F.
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide?
The InChIKey is GAJUXZBOYWAIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O3/c9-4-1-2-5(6(3-4)13(15)16)12-8(14)7(10)11/h1-3,7H,(H,12,14).
What are the key properties of N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide?
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide has a molecular weight of 295.04 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 58381574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).