2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C13H11F3N4O3 — CID 1153856

IUPAC2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c1-8-17-11(20(22)23)6-19(8)7-12(21)18-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,18,21)
InChIKeyQMTPUVZLHFTUES-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1153856) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1153856
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c1-8-17-11(20(22)23)6-19(8)7-12(21)18-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,18,21)
InChIKeyQMTPUVZLHFTUES-UHFFFAOYSA-N
XLogP2.76
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.76
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-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146090656
N-(3,4-dimethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 777205
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1258800
2,2-dimethyl-N-[3-[3-(2-methyl-4-nitroimidazol-1-yl)propanoylamino]phenyl]propanamide
CID 48732993
N-(4-cyanophenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 42644678
N-(3-chlorophenyl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 48732615
2-(4-aminobenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide;2-(4-nitrobenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 87925782
1-anilino-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-one
CID 71592020
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1153856) is 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QMTPUVZLHFTUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c1-8-17-11(20(22)23)6-19(8)7-12(21)18-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,18,21).
What are the key properties of 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 328.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitroimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1153856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).