2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide

C15H11Cl2N3O6 — CID 5226893

IUPAC2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O6/c1-8(26-14-5-2-9(16)6-11(14)17)15(21)18-12-4-3-10(19(22)23)7-13(12)20(24)25/h2-8H,1H3,(H,18,21)
InChIKeyXDGANOHWDJJMJW-UHFFFAOYSA-N
MW400.17 g/mol
LogP4.22
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide

2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide (PubChem CID 5226893) has the molecular formula C15H11Cl2N3O6 and a molecular weight of 400.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
PubChem CID5226893
Molecular FormulaC15H11Cl2N3O6
Molecular Weight400.17 g/mol
Exact Mass399.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O6/c1-8(26-14-5-2-9(16)6-11(14)17)15(21)18-12-4-3-10(19(22)23)7-13(12)20(24)25/h2-8H,1H3,(H,18,21)
InChIKeyXDGANOHWDJJMJW-UHFFFAOYSA-N
XLogP4.22
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.17
LogP ≤ 54.22
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-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23958969
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2S)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 42561218
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
2-(2,4-dichlorophenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]propanamide
CID 5185381

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide (CID 5226893) is 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide?
The InChIKey is XDGANOHWDJJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O6/c1-8(26-14-5-2-9(16)6-11(14)17)15(21)18-12-4-3-10(19(22)23)7-13(12)20(24)25/h2-8H,1H3,(H,18,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide has a molecular weight of 400.17 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide is sourced from PubChem (CID 5226893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).