2-(4-formyl-2-nitrophenyl)acetamide

C9H8N2O4 — CID 87921397

IUPAC2-(4-formyl-2-nitrophenyl)acetamide
SMILESNC(=O)Cc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c10-9(13)4-7-2-1-6(5-12)3-8(7)11(14)15/h1-3,5H,4H2,(H2,10,13)
InChIKeyKGOOFEWHBMUEGT-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.44
Rot. Bonds4

About 2-(4-formyl-2-nitrophenyl)acetamide

2-(4-formyl-2-nitrophenyl)acetamide (PubChem CID 87921397) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(4-formyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-2-nitrophenyl)acetamide
PubChem CID87921397
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-(4-formyl-2-nitrophenyl)acetamide
SMILESNC(=O)Cc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c10-9(13)4-7-2-1-6(5-12)3-8(7)11(14)15/h1-3,5H,4H2,(H2,10,13)
InChIKeyKGOOFEWHBMUEGT-UHFFFAOYSA-N
XLogP0.44
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-(4-formyl-2-nitrophenyl)acetic acid
CID 22931275
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868874
4-hydroxy-3-nitrobenzaldehyde
CID 18169
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
CID 106239852
3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
CID 106177769
4-bromo-3-nitrobenzaldehyde
CID 808792
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
(4-formyl-2-nitrophenyl) 3-chloropropanoate
CID 87706211
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
2-(4-formyl-2-nitrophenyl)sulfanylacetic acid
CID 597325
2-(4-formyl-2-nitrophenoxy)acetic acid
CID 4763784

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-formyl-2-nitrophenyl)acetamide (CID 87921397) is 2-(4-formyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-formyl-2-nitrophenyl)acetamide is NC(=O)Cc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-formyl-2-nitrophenyl)acetamide?
The InChIKey is KGOOFEWHBMUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c10-9(13)4-7-2-1-6(5-12)3-8(7)11(14)15/h1-3,5H,4H2,(H2,10,13).
What are the key properties of 2-(4-formyl-2-nitrophenyl)acetamide?
2-(4-formyl-2-nitrophenyl)acetamide has a molecular weight of 208.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 87921397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).