2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide

C16H13N3O5 — CID 133330266

IUPAC2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(N)=O
InChIInChI=1S/C16H13N3O5/c1-10(16(18)20)23-13-3-5-14(6-4-13)24-15-7-2-12(19(21)22)8-11(15)9-17/h2-8,10H,1H3,(H2,18,20)
InChIKeyZMRGFLYSKNILSK-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide

2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide (PubChem CID 133330266) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
PubChem CID133330266
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
SMILESCC(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(N)=O
InChIInChI=1S/C16H13N3O5/c1-10(16(18)20)23-13-3-5-14(6-4-13)24-15-7-2-12(19(21)22)8-11(15)9-17/h2-8,10H,1H3,(H2,18,20)
InChIKeyZMRGFLYSKNILSK-UHFFFAOYSA-N
XLogP2.51
TPSA128.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
methyl 2-[4-(4-chloro-2-cyanophenoxy)phenoxy]propanoate
CID 12893344
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
2-(4-anilinophenoxy)-5-nitrobenzonitrile
CID 18280891
2-(4-cyano-2-nitrophenoxy)propanamide
CID 47449451
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
2-(3-methoxy-5-methylphenoxy)-5-nitrobenzonitrile
CID 143108304
4-(2-cyano-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438462
4-(2-methoxy-5-nitrophenoxy)-2-methylbenzonitrile
CID 81273441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide?
The IUPAC name of 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide (CID 133330266) is 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide.
What is the SMILES notation for 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide?
The canonical SMILES for 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide is CC(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(N)=O.
What is the InChIKey of 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide?
The InChIKey is ZMRGFLYSKNILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-10(16(18)20)23-13-3-5-14(6-4-13)24-15-7-2-12(19(21)22)8-11(15)9-17/h2-8,10H,1H3,(H2,18,20).
What are the key properties of 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide?
2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide has a molecular weight of 327.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide is sourced from PubChem (CID 133330266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).