N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide

C18H16N4O4 — CID 24650230

IUPACN-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H16N4O4/c1-13-6-8-14(9-7-13)26-16-5-3-2-4-15(16)20-18(23)11-21-10-17(19-12-21)22(24)25/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyDZMRPTZWXLBZHV-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide

N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 24650230) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID24650230
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H16N4O4/c1-13-6-8-14(9-7-13)26-16-5-3-2-4-15(16)20-18(23)11-21-10-17(19-12-21)22(24)25/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyDZMRPTZWXLBZHV-UHFFFAOYSA-N
XLogP3.53
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.53
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 N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)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-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
2-[[2-(4-nitroimidazol-1-yl)acetyl]amino]ethyl 4-methylbenzenesulfonate
CID 90071710
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 47058547
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356859
2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24669609

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide (CID 24650230) is N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide is Cc1ccc(Oc2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is DZMRPTZWXLBZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-13-6-8-14(9-7-13)26-16-5-3-2-4-15(16)20-18(23)11-21-10-17(19-12-21)22(24)25/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide?
N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 352.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 24650230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).