2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

C16H13N3O4 — CID 4789629

IUPAC2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C#N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O4/c1-11-5-6-14(15(7-11)19(21)22)18-16(20)10-23-13-4-2-3-12(8-13)9-17/h2-8H,10H2,1H3,(H,18,20)
InChIKeyZKZMOSCYKKYFRH-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide

2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 4789629) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID4789629
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C#N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13N3O4/c1-11-5-6-14(15(7-11)19(21)22)18-16(20)10-23-13-4-2-3-12(8-13)9-17/h2-8H,10H2,1H3,(H,18,20)
InChIKeyZKZMOSCYKKYFRH-UHFFFAOYSA-N
XLogP2.79
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 7964016
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073209
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
3-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]benzonitrile
CID 7964049
2-(3-cyanophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 2591399
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
CID 2909827
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide (CID 4789629) is 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(C#N)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is ZKZMOSCYKKYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-11-5-6-14(15(7-11)19(21)22)18-16(20)10-23-13-4-2-3-12(8-13)9-17/h2-8H,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 311.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 4789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).