N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide

C19H16N4O4 — CID 31933905

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N4O4/c1-22-11-10-20-19(22)18(25)14-4-6-15(7-5-14)21-17(24)12-13-2-8-16(9-3-13)23(26)27/h2-11H,12H2,1H3,(H,21,24)
InChIKeyNEMZECUAMOVFJL-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 31933905) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID31933905
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N4O4/c1-22-11-10-20-19(22)18(25)14-4-6-15(7-5-14)21-17(24)12-13-2-8-16(9-3-13)23(26)27/h2-11H,12H2,1H3,(H,21,24)
InChIKeyNEMZECUAMOVFJL-UHFFFAOYSA-N
XLogP2.74
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide (CID 31933905) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is NEMZECUAMOVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-22-11-10-20-19(22)18(25)14-4-6-15(7-5-14)21-17(24)12-13-2-8-16(9-3-13)23(26)27/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 364.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 31933905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).