2-cyano-N-(4-iodo-3-nitrophenyl)acetamide

C9H6IN3O3 — CID 168520377

IUPAC2-cyano-N-(4-iodo-3-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C9H6IN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-9(14)3-4-11/h1-2,5H,3H2,(H,12,14)
InChIKeyFYEHDGBJIZLCKU-UHFFFAOYSA-N
MW331.07 g/mol
LogP2.05
Rot. Bonds3

About 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide

2-cyano-N-(4-iodo-3-nitrophenyl)acetamide (PubChem CID 168520377) has the molecular formula C9H6IN3O3 and a molecular weight of 331.07 g/mol. Its IUPAC name is 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-iodo-3-nitrophenyl)acetamide
PubChem CID168520377
Molecular FormulaC9H6IN3O3
Molecular Weight331.07 g/mol
Exact Mass330.95
IUPAC Name2-cyano-N-(4-iodo-3-nitrophenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(I)c([N+](=O)[O-])c1
InChIInChI=1S/C9H6IN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-9(14)3-4-11/h1-2,5H,3H2,(H,12,14)
InChIKeyFYEHDGBJIZLCKU-UHFFFAOYSA-N
XLogP2.05
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.07
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyanoacetyl)amino]-2-nitrobenzenesulfonic acid
CID 168524152
N-[4-(benzenesulfonyl)-3-nitrophenyl]-2-cyanoacetamide
CID 168520949
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
N-(4-chloro-3-nitrophenyl)-3-[(2-cyanoacetyl)hydrazinylidene]butanamide
CID 4000024
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
2-cyano-N-(2,4-dichloro-6-nitrophenyl)acetamide
CID 168520258
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide (CID 168520377) is 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide is N#CCC(=O)Nc1ccc(I)c([N+](=O)[O-])c1.
What is the InChIKey of 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide?
The InChIKey is FYEHDGBJIZLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-9(14)3-4-11/h1-2,5H,3H2,(H,12,14).
What are the key properties of 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide?
2-cyano-N-(4-iodo-3-nitrophenyl)acetamide has a molecular weight of 331.07 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-iodo-3-nitrophenyl)acetamide is sourced from PubChem (CID 168520377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).