2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide

C15H14N2O3 — CID 890189

IUPAC2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-5-7-12(8-6-11)9-15(18)16-13-3-2-4-14(10-13)17(19)20/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyMSRRQFGXLDUORN-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide

2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide (PubChem CID 890189) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide
PubChem CID890189
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-5-7-12(8-6-11)9-15(18)16-13-3-2-4-14(10-13)17(19)20/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyMSRRQFGXLDUORN-UHFFFAOYSA-N
XLogP3.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide (CID 890189) is 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide is Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide?
The InChIKey is MSRRQFGXLDUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-5-7-12(8-6-11)9-15(18)16-13-3-2-4-14(10-13)17(19)20/h2-8,10H,9H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide?
2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 890189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).