N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide

C15H10N4O6 — CID 17359267

IUPACN-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O6/c16-8-10-3-1-2-4-12(10)17-15(20)9-25-14-6-5-11(18(21)22)7-13(14)19(23)24/h1-7H,9H2,(H,17,20)
InChIKeyHUBVPQQTLAHLPE-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.39
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide

N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide (PubChem CID 17359267) has the molecular formula C15H10N4O6 and a molecular weight of 342.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
PubChem CID17359267
Molecular FormulaC15H10N4O6
Molecular Weight342.27 g/mol
Exact Mass342.06
IUPAC NameN-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H10N4O6/c16-8-10-3-1-2-4-12(10)17-15(20)9-25-14-6-5-11(18(21)22)7-13(14)19(23)24/h1-7H,9H2,(H,17,20)
InChIKeyHUBVPQQTLAHLPE-UHFFFAOYSA-N
XLogP2.39
TPSA148.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7434030
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359401
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide (CID 17359267) is N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide is N#Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide?
The InChIKey is HUBVPQQTLAHLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O6/c16-8-10-3-1-2-4-12(10)17-15(20)9-25-14-6-5-11(18(21)22)7-13(14)19(23)24/h1-7H,9H2,(H,17,20).
What are the key properties of N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide?
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide has a molecular weight of 342.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide is sourced from PubChem (CID 17359267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).