2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide

C15H11Cl3N2O4 — CID 4943784

IUPAC2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(24-14-5-3-2-4-13(14)20(22)23)15(21)19-12-7-10(17)9(16)6-11(12)18/h2-8H,1H3,(H,19,21)
InChIKeyZNLUQLDRQDEAGV-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.96
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide

2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 4943784) has the molecular formula C15H11Cl3N2O4 and a molecular weight of 389.62 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID4943784
Molecular FormulaC15H11Cl3N2O4
Molecular Weight389.62 g/mol
Exact Mass387.98
IUPAC Name2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(24-14-5-3-2-4-13(14)20(22)23)15(21)19-12-7-10(17)9(16)6-11(12)18/h2-8H,1H3,(H,19,21)
InChIKeyZNLUQLDRQDEAGV-UHFFFAOYSA-N
XLogP4.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 4187033
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
2-(2-propan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 46769245
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide (CID 4943784) is 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is ZNLUQLDRQDEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4/c1-8(24-14-5-3-2-4-13(14)20(22)23)15(21)19-12-7-10(17)9(16)6-11(12)18/h2-8H,1H3,(H,19,21).
What are the key properties of 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide?
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 389.62 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 4943784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).