2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide

C15H14N2O4 — CID 4531468

IUPAC2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-11-5-4-6-12(9-11)21-10-15(18)16-13-7-2-3-8-14(13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyVFQURVRUKWEJFZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide

2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide (PubChem CID 4531468) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
PubChem CID4531468
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-11-5-4-6-12(9-11)21-10-15(18)16-13-7-2-3-8-14(13)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyVFQURVRUKWEJFZ-UHFFFAOYSA-N
XLogP2.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
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

2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
CID 2909827
2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 4789629
[2-(2-nitroanilino)-2-oxoethyl] 3-methylbenzoate
CID 7382112
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853375
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide (CID 4531468) is 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide is Cc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide?
The InChIKey is VFQURVRUKWEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-11-5-4-6-12(9-11)21-10-15(18)16-13-7-2-3-8-14(13)17(19)20/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide?
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4531468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).