2-(4-cyano-2-nitrophenoxy)propanamide

C10H9N3O4 — CID 47449451

IUPAC2-(4-cyano-2-nitrophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H9N3O4/c1-6(10(12)14)17-9-3-2-7(5-11)4-8(9)13(15)16/h2-4,6H,1H3,(H2,12,14)
InChIKeyHVWRVNKSEVSWBT-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.72
Rot. Bonds4

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

2-(4-cyano-2-nitrophenoxy)propanamide (PubChem CID 47449451) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-(4-cyano-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(4-cyano-2-nitrophenoxy)propanamide
PubChem CID47449451
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-(4-cyano-2-nitrophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H9N3O4/c1-6(10(12)14)17-9-3-2-7(5-11)4-8(9)13(15)16/h2-4,6H,1H3,(H2,12,14)
InChIKeyHVWRVNKSEVSWBT-UHFFFAOYSA-N
XLogP0.72
TPSA119.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-cyano-2-nitrophenoxy)phenoxy]propanamide
CID 133330261
2-(4-cyano-2-nitrophenoxy)-N-(methylcarbamoyl)propanamide
CID 115595440
2-(4-cyano-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 47449675
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895
2-[4-[(2-methylpropylamino)methyl]-2-nitrophenoxy]propanamide
CID 63056530
4-[4-(1-hydroxyethyl)phenoxy]-3-nitrobenzonitrile
CID 60723698
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-(4-cyano-2-nitrophenoxy)-N-pentan-3-ylacetamide
CID 115595443
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-nitrophenoxy)propanamide?
The IUPAC name of 2-(4-cyano-2-nitrophenoxy)propanamide (CID 47449451) is 2-(4-cyano-2-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(4-cyano-2-nitrophenoxy)propanamide?
The canonical SMILES for 2-(4-cyano-2-nitrophenoxy)propanamide is CC(Oc1ccc(C#N)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-(4-cyano-2-nitrophenoxy)propanamide?
The InChIKey is HVWRVNKSEVSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6(10(12)14)17-9-3-2-7(5-11)4-8(9)13(15)16/h2-4,6H,1H3,(H2,12,14).
What are the key properties of 2-(4-cyano-2-nitrophenoxy)propanamide?
2-(4-cyano-2-nitrophenoxy)propanamide has a molecular weight of 235.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-nitrophenoxy)propanamide is sourced from PubChem (CID 47449451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).