N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C10H7F2N5O3 — CID 749670

IUPACN-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)cc1F
InChIInChI=1S/C10H7F2N5O3/c11-6-1-2-8(7(12)3-6)14-9(18)4-16-5-13-10(15-16)17(19)20/h1-3,5H,4H2,(H,14,18)
InChIKeyWDQFINHLOVQPEU-UHFFFAOYSA-N
MW283.19 g/mol
LogP1.10
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (PubChem CID 749670) has the molecular formula C10H7F2N5O3 and a molecular weight of 283.19 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
PubChem CID749670
Molecular FormulaC10H7F2N5O3
Molecular Weight283.19 g/mol
Exact Mass283.05
IUPAC NameN-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)cc1F
InChIInChI=1S/C10H7F2N5O3/c11-6-1-2-8(7(12)3-6)14-9(18)4-16-5-13-10(15-16)17(19)20/h1-3,5H,4H2,(H,14,18)
InChIKeyWDQFINHLOVQPEU-UHFFFAOYSA-N
XLogP1.10
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-nitrophenyl)-2-(tetrazol-1-yl)acetamide
CID 800729
N-(3-chloro-4-fluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 5002100
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 52280991
2-(3-nitro-1,2,4-triazol-1-yl)-N-(3-phenylphenyl)acetamide
CID 122188138
N-(4-benzylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188140
2-(3-Nitro-1,2,4-triazol-1-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 122195186
1-[4-(4-fluorophenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 4304418
N-(4-aminophenyl)-2-(1H-1,2,4-triazol-1-yl)propanamide
CID 16788251
2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-N-phenylacetamide
CID 648976
N-methyl-2-(3-nitro-1,2,4-triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 162534606
N-(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 5306456
2-(3-Nitro-1H-1,2,4-triazol-1-YL)-N~1~-[2-(trifluoromethyl)phenyl]acetamide
CID 749084

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CID 749670) is N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The InChIKey is WDQFINHLOVQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N5O3/c11-6-1-2-8(7(12)3-6)14-9(18)4-16-5-13-10(15-16)17(19)20/h1-3,5H,4H2,(H,14,18).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide has a molecular weight of 283.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 749670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).