N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide

C11H10N4O3 — CID 112695684

IUPACN-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc[nH]1
InChIInChI=1S/C11H10N4O3/c16-10(14-11-12-4-5-13-11)7-8-2-1-3-9(6-8)15(17)18/h1-6H,7H2,(H2,12,13,14,16)
InChIKeyFIMKXDVPOZHALB-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.50
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide

N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 112695684) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
PubChem CID112695684
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc[nH]1
InChIInChI=1S/C11H10N4O3/c16-10(14-11-12-4-5-13-11)7-8-2-1-3-9(6-8)15(17)18/h1-6H,7H2,(H2,12,13,14,16)
InChIKeyFIMKXDVPOZHALB-UHFFFAOYSA-N
XLogP1.50
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
N-(1H-imidazol-2-ylmethyl)-1-(3-nitrophenyl)methanamine
CID 62504703
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N'-hydroxy-2-(3-nitrophenyl)ethanimidamide
CID 87295846
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3-nitrophenyl)urea
CID 64512305
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide (CID 112695684) is N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is FIMKXDVPOZHALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-10(14-11-12-4-5-13-11)7-8-2-1-3-9(6-8)15(17)18/h1-6H,7H2,(H2,12,13,14,16).
What are the key properties of N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide?
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 246.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 112695684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).