N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide

C10H10N2O5 — CID 141315370

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

About N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide

N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide (PubChem CID 141315370) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-formyl-5-methoxy-2-nitrophenyl)acetamide
PubChem CID141315370
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC NameN-(3-formyl-5-methoxy-2-nitrophenyl)acetamide
SMILESCOc1cc(C=O)c([N+](=O)[O-])c(NC(C)=O)c1
InChIInChI=1S/C10H10N2O5/c1-6(14)11-9-4-8(17-2)3-7(5-13)10(9)12(15)16/h3-5H,1-2H3,(H,11,14)
InChIKeyJCNYOXDHEMYYOS-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

methyl 2-(3-formyl-5-methoxy-2-nitrophenyl)acetate
CID 171024296
3-formyl-5-methoxy-2-nitrobenzoyl chloride
CID 171023119
ethyl 3-formyl-5-methoxy-2-nitrobenzoate
CID 171025047
5-methoxy-3-nitro-2-sulfanylbenzaldehyde
CID 139830624
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
4-hydroxy-3-methoxy-5-methyl-2-nitrobenzaldehyde
CID 145018495
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
2-acetyl-4-methoxy-6-nitrobenzaldehyde
CID 171022621
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
CID 102103939
2-acetyl-3-hydroxy-5-methoxybenzaldehyde
CID 176717400
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide (CID 141315370) is N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide is COc1cc(C=O)c([N+](=O)[O-])c(NC(C)=O)c1.
What is the InChIKey of N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide?
The InChIKey is JCNYOXDHEMYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(14)11-9-4-8(17-2)3-7(5-13)10(9)12(15)16/h3-5H,1-2H3,(H,11,14).
What are the key properties of N-(3-formyl-5-methoxy-2-nitrophenyl)acetamide?
N-(3-formyl-5-methoxy-2-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-(3-formyl-5-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 141315370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).