2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide

C10H9N3O4 — CID 168520140

IUPAC2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(=O)CC#N)c1
InChIInChI=1S/C10H9N3O4/c1-17-7-2-3-9(13(15)16)8(6-7)12-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,12,14)
InChIKeyGGDYXTBQQDYZIO-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.46
Rot. Bonds4

About 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide

2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide (PubChem CID 168520140) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
PubChem CID168520140
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(=O)CC#N)c1
InChIInChI=1S/C10H9N3O4/c1-17-7-2-3-9(13(15)16)8(6-7)12-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,12,14)
InChIKeyGGDYXTBQQDYZIO-UHFFFAOYSA-N
XLogP1.46
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.46
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-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
[2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 9067592
propyl N-(5-methoxy-2-nitrophenyl)carbamate
CID 3109726
2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
2-(hydroxymethyl)-2-(5-methoxy-2-nitroanilino)propane-1,3-diol
CID 107849465
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
CID 168523564
dimethyl (E)-2-(5-methoxy-2-nitroanilino)but-2-enedioate
CID 168569594
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-[3-[(3,5-dimethoxybenzoyl)amino]-4-nitrophenyl]-3,5-dimethoxybenzamide
CID 3276898

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide (CID 168520140) is 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])c(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide?
The InChIKey is GGDYXTBQQDYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-7-2-3-9(13(15)16)8(6-7)12-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,12,14).
What are the key properties of 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide?
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide has a molecular weight of 235.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 168520140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).