2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C14H16N4O3 — CID 24669609

IUPAC2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H16N4O3/c1-10(2)11-4-3-5-12(6-11)16-14(19)8-17-7-13(15-9-17)18(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19)
InChIKeyCBJJCLRFFPBUDA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 24669609) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID24669609
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H16N4O3/c1-10(2)11-4-3-5-12(6-11)16-14(19)8-17-7-13(15-9-17)18(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19)
InChIKeyCBJJCLRFFPBUDA-UHFFFAOYSA-N
XLogP2.55
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.55
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

N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
N-butan-2-yl-2-(4-nitroimidazol-1-yl)acetamide
CID 3103705
2-(6-nitro-4-oxoquinazolin-3-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 51286316
2-(4-nitroimidazol-1-yl)-N-(1-phenylbutyl)acetamide
CID 24650166
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650226
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24567329
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669589

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 24669609) is 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is CBJJCLRFFPBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10(2)11-4-3-5-12(6-11)16-14(19)8-17-7-13(15-9-17)18(20)21/h3-7,9-10H,8H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 24669609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).