2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide

C17H14N4O4 — CID 122188143

IUPAC2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N4O4/c22-16(12-20-11-10-18-17(20)21(23)24)19-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,22)
InChIKeyGBMFBBOIMHAHSG-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide

2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 122188143) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID122188143
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N4O4/c22-16(12-20-11-10-18-17(20)21(23)24)19-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,22)
InChIKeyGBMFBBOIMHAHSG-UHFFFAOYSA-N
XLogP3.22
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.22
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'}

Analyze 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-phenylimidazole-4-carboxamide
CID 9267164
3-(1H-imidazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 24761487
N'-(4-butoxyphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 580554
N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamide
CID 1262906
1-[2-(4-Ureidophenoxy)ethyl]imidazole
CID 13569204
N-(3-imidazol-1-ylpropyl)-N'-(4-methoxyphenyl)oxamide
CID 2856001
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-propoxyphenyl)ethanediamide
CID 2959270
N-(4-Ethoxy-phenyl)-N'-(3-imidazol-1-yl-propyl)-oxalamide
CID 3148503
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-methoxyphenylcarbamate
CID 4454571
N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-[4-(pentyloxy)phenyl]ethanediamide
CID 4457281
2-{4-nitro-1H-imidazol-1-yl}-N-[3-nitro-5-(2-methylphenoxy)phenyl]acetamide
CID 9551945
(3-(1H-Imidazol-1-yl)propyl)-2-cyano-3-(4-methoxyphenyl)guanidine
CID 11630784

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide (CID 122188143) is 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide is O=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is GBMFBBOIMHAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-16(12-20-11-10-18-17(20)21(23)24)19-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,19,22).
What are the key properties of 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide?
2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 338.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 122188143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).