2-(4-formyl-2-nitrophenoxy)propanamide

C10H10N2O5 — CID 43082661

IUPAC2-(4-formyl-2-nitrophenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H10N2O5/c1-6(10(11)14)17-9-3-2-7(5-13)4-8(9)12(15)16/h2-6H,1H3,(H2,11,14)
InChIKeyRPSKCGLKRTWAQK-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.66
Rot. Bonds5

About 2-(4-formyl-2-nitrophenoxy)propanamide

2-(4-formyl-2-nitrophenoxy)propanamide (PubChem CID 43082661) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-(4-formyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(4-formyl-2-nitrophenoxy)propanamide
PubChem CID43082661
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name2-(4-formyl-2-nitrophenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H10N2O5/c1-6(10(11)14)17-9-3-2-7(5-13)4-8(9)12(15)16/h2-6H,1H3,(H2,11,14)
InChIKeyRPSKCGLKRTWAQK-UHFFFAOYSA-N
XLogP0.66
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.66
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

(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961
2-(4-formyl-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 43244160
2-fluoro-2-(4-formyl-2-nitrophenoxy)acetic acid
CID 123757501
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895
2-(4-cyano-2-nitrophenoxy)propanamide
CID 47449451
2-(4-formyl-2-nitrophenoxy)propanenitrile
CID 60644313
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
2-[4-[(2-methylpropylamino)methyl]-2-nitrophenoxy]propanamide
CID 63056530
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559100
4-methoxy-3-nitrobenzaldehyde
CID 700608
3-nitro-4-propoxybenzaldehyde
CID 28690176

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-nitrophenoxy)propanamide?
The IUPAC name of 2-(4-formyl-2-nitrophenoxy)propanamide (CID 43082661) is 2-(4-formyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(4-formyl-2-nitrophenoxy)propanamide?
The canonical SMILES for 2-(4-formyl-2-nitrophenoxy)propanamide is CC(Oc1ccc(C=O)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-(4-formyl-2-nitrophenoxy)propanamide?
The InChIKey is RPSKCGLKRTWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-6(10(11)14)17-9-3-2-7(5-13)4-8(9)12(15)16/h2-6H,1H3,(H2,11,14).
What are the key properties of 2-(4-formyl-2-nitrophenoxy)propanamide?
2-(4-formyl-2-nitrophenoxy)propanamide has a molecular weight of 238.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 43082661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).