2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide

C15H13N3O6 — CID 4951253

IUPAC2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-10(24-14-8-6-13(7-9-14)18(22)23)15(19)16-11-2-4-12(5-3-11)17(20)21/h2-10H,1H3,(H,16,19)
InChIKeyFERCUMCAENRQJF-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide (PubChem CID 4951253) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
PubChem CID4951253
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-10(24-14-8-6-13(7-9-14)18(22)23)15(19)16-11-2-4-12(5-3-11)17(20)21/h2-10H,1H3,(H,16,19)
InChIKeyFERCUMCAENRQJF-UHFFFAOYSA-N
XLogP2.91
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.91
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

(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235
2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233582
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide (CID 4951253) is 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide?
The InChIKey is FERCUMCAENRQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6/c1-10(24-14-8-6-13(7-9-14)18(22)23)15(19)16-11-2-4-12(5-3-11)17(20)21/h2-10H,1H3,(H,16,19).
What are the key properties of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide?
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide has a molecular weight of 331.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 4951253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).