N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide

C17H14N4O4 — CID 37239311

IUPACN-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H14N4O4/c22-17(11-25-16-4-2-1-3-15(16)21(23)24)19-13-5-7-14(8-6-13)20-10-9-18-12-20/h1-10,12H,11H2,(H,19,22)
InChIKeyWKLQQRQVKNVAFC-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.80
Rot. Bonds6

About N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide

N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 37239311) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID37239311
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H14N4O4/c22-17(11-25-16-4-2-1-3-15(16)21(23)24)19-13-5-7-14(8-6-13)20-10-9-18-12-20/h1-10,12H,11H2,(H,19,22)
InChIKeyWKLQQRQVKNVAFC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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'}

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Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 25352048
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide (CID 37239311) is N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is WKLQQRQVKNVAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-17(11-25-16-4-2-1-3-15(16)21(23)24)19-13-5-7-14(8-6-13)20-10-9-18-12-20/h1-10,12H,11H2,(H,19,22).
What are the key properties of N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 338.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 37239311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).