2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide

C10H13F3N4O3 — CID 59811663

IUPAC2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide
SMILESCC(F)(F)C(C)(F)CNC(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13F3N4O3/c1-9(11,10(2,12)13)6-15-7(18)5-16-4-3-14-8(16)17(19)20/h3-4H,5-6H2,1-2H3,(H,15,18)
InChIKeyVDQPIGYVLIDSDJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.29
Rot. Bonds6

About 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide

2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide (PubChem CID 59811663) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide
PubChem CID59811663
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide
SMILESCC(F)(F)C(C)(F)CNC(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C10H13F3N4O3/c1-9(11,10(2,12)13)6-15-7(18)5-16-4-3-14-8(16)17(19)20/h3-4H,5-6H2,1-2H3,(H,15,18)
InChIKeyVDQPIGYVLIDSDJ-UHFFFAOYSA-N
XLogP1.29
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-nitro-1H-imidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 389053
alpha,alpha-Difluoro-N-(2-hydroxyethyl)-2-nitro-1H-imidazole-1-propanamide
CID 366729
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
SR-4554
CID 9882197
N-(2-Fluoroethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide
CID 5284660
2-(2-Nitroimidazol-1-yl)-n-(3,3,3-trifluoropropyl)acetamide
CID 9993055
N-(3-fluoropropyl)-2-(2-nitroimidazol-1-yl)acetamide
CID 5284659
N-(methylpropyl)-2-(4-nitroimidazolyl)acetamide
CID 3103705
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N-butyl-2-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 137653315
2-(2-nitro-1H-imidazol-1-yl)-N-(2,3,3-trifluoroallyl)-acetamide
CID 9903380
2,2-difluoro-N-(2-methoxyethyl)-3-(2-nitroimidazol-1-yl)propanamide
CID 54156199

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide?
The IUPAC name of 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide (CID 59811663) is 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide is CC(F)(F)C(C)(F)CNC(=O)Cn1ccnc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide?
The InChIKey is VDQPIGYVLIDSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-9(11,10(2,12)13)6-15-7(18)5-16-4-3-14-8(16)17(19)20/h3-4H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide?
2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide has a molecular weight of 294.23 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)-N-(2,3,3-trifluoro-2-methylbutyl)acetamide is sourced from PubChem (CID 59811663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).