N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide

C10H10N2O5 — CID 141315408

IUPACN-(4-formyl-3-methoxy-5-nitrophenyl)acetamide
SMILESCOc1cc(NC(C)=O)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C10H10N2O5/c1-6(14)11-7-3-9(12(15)16)8(5-13)10(4-7)17-2/h3-5H,1-2H3,(H,11,14)
InChIKeyOWDSMBSZFJFKAI-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.37
Rot. Bonds4

About N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide

N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide (PubChem CID 141315408) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-formyl-3-methoxy-5-nitrophenyl)acetamide
PubChem CID141315408
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC NameN-(4-formyl-3-methoxy-5-nitrophenyl)acetamide
SMILESCOc1cc(NC(C)=O)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C10H10N2O5/c1-6(14)11-7-3-9(12(15)16)8(5-13)10(4-7)17-2/h3-5H,1-2H3,(H,11,14)
InChIKeyOWDSMBSZFJFKAI-UHFFFAOYSA-N
XLogP1.37
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-acetyl-4-methoxy-6-nitrobenzaldehyde
CID 171022621
methyl 2-formyl-6-methoxy-3-nitrobenzoate
CID 171023954
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
CID 177145216
2-formyl-3-methoxy-5-nitrobenzoic acid
CID 171023213
methyl 5-formyl-2-methoxy-4-nitrobenzoate
CID 171024024
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
4-methoxy-3-nitrobenzaldehyde
CID 700608
4-formyl-2-methoxy-6-nitrobenzamide
CID 171023035
5-methoxy-2-nitro-4-(3-oxobutan-2-yloxy)benzaldehyde
CID 62033628
ethane;methyl 4-formyl-2-methoxy-5-nitrobenzoate
CID 145020183

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide (CID 141315408) is N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide is COc1cc(NC(C)=O)cc([N+](=O)[O-])c1C=O.
What is the InChIKey of N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide?
The InChIKey is OWDSMBSZFJFKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(14)11-7-3-9(12(15)16)8(5-13)10(4-7)17-2/h3-5H,1-2H3,(H,11,14).
What are the key properties of N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide?
N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide has a molecular weight of 238.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-3-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 141315408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).