2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide

C11H11N3O3 — CID 91681073

IUPAC2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
SMILESCCc1cc([N+](=O)[O-])ccc1NC(=O)CC#N
InChIInChI=1S/C11H11N3O3/c1-2-8-7-9(14(16)17)3-4-10(8)13-11(15)5-6-12/h3-4,7H,2,5H2,1H3,(H,13,15)
InChIKeyUTYLLFCPNDMWAS-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.01
Rot. Bonds4

About 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide

2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide (PubChem CID 91681073) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
PubChem CID91681073
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
SMILESCCc1cc([N+](=O)[O-])ccc1NC(=O)CC#N
InChIInChI=1S/C11H11N3O3/c1-2-8-7-9(14(16)17)3-4-10(8)13-11(15)5-6-12/h3-4,7H,2,5H2,1H3,(H,13,15)
InChIKeyUTYLLFCPNDMWAS-UHFFFAOYSA-N
XLogP2.01
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.01
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-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973
2-ethyl-4-nitrobenzonitrile
CID 67236310
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide
CID 141224369
2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
CID 168520330
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
N-[2-(ethylamino)-5-nitrophenyl]propanamide
CID 71408638
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
CID 168523564

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide (CID 91681073) is 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide is CCc1cc([N+](=O)[O-])ccc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide?
The InChIKey is UTYLLFCPNDMWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-8-7-9(14(16)17)3-4-10(8)13-11(15)5-6-12/h3-4,7H,2,5H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide?
2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 91681073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).