N-methyl-N-(2-nitro-4-phenylphenyl)acetamide

C15H14N2O3 — CID 70088982

IUPACN-methyl-N-(2-nitro-4-phenylphenyl)acetamide
SMILESCC(=O)N(C)c1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11(18)16(2)14-9-8-13(10-15(14)17(19)20)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYHRIIDZFLFPCOE-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.24
Rot. Bonds3

About N-methyl-N-(2-nitro-4-phenylphenyl)acetamide

N-methyl-N-(2-nitro-4-phenylphenyl)acetamide (PubChem CID 70088982) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-methyl-N-(2-nitro-4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-nitro-4-phenylphenyl)acetamide
PubChem CID70088982
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-methyl-N-(2-nitro-4-phenylphenyl)acetamide
SMILESCC(=O)N(C)c1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-11(18)16(2)14-9-8-13(10-15(14)17(19)20)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYHRIIDZFLFPCOE-UHFFFAOYSA-N
XLogP3.24
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
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 N-methyl-N-(2-nitro-4-phenylphenyl)acetamide?
The IUPAC name of N-methyl-N-(2-nitro-4-phenylphenyl)acetamide (CID 70088982) is N-methyl-N-(2-nitro-4-phenylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-nitro-4-phenylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(2-nitro-4-phenylphenyl)acetamide is CC(=O)N(C)c1ccc(-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(2-nitro-4-phenylphenyl)acetamide?
The InChIKey is YHRIIDZFLFPCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11(18)16(2)14-9-8-13(10-15(14)17(19)20)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of N-methyl-N-(2-nitro-4-phenylphenyl)acetamide?
N-methyl-N-(2-nitro-4-phenylphenyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitro-4-phenylphenyl)acetamide is sourced from PubChem (CID 70088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).