2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide

C14H8Cl3N3O5 — CID 4628926

IUPAC2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O5/c15-9-5-11(17)12(6-10(9)16)18-14(21)3-7-1-2-8(19(22)23)4-13(7)20(24)25/h1-2,4-6H,3H2,(H,18,21)
InChIKeyHOPHFOCORGGMCG-UHFFFAOYSA-N
MW404.59 g/mol
LogP4.64
Rot. Bonds5

About 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide

2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 4628926) has the molecular formula C14H8Cl3N3O5 and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID4628926
Molecular FormulaC14H8Cl3N3O5
Molecular Weight404.59 g/mol
Exact Mass402.95
IUPAC Name2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O5/c15-9-5-11(17)12(6-10(9)16)18-14(21)3-7-1-2-8(19(22)23)4-13(7)20(24)25/h1-2,4-6H,3H2,(H,18,21)
InChIKeyHOPHFOCORGGMCG-UHFFFAOYSA-N
XLogP4.64
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-nitrobenzoate
CID 7834952
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-[(3-chloro-4-nitrophenyl)methyl]-N'-(2,4,5-trichlorophenyl)propanediamide
CID 20562807
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 137118534
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide (CID 4628926) is 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is HOPHFOCORGGMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O5/c15-9-5-11(17)12(6-10(9)16)18-14(21)3-7-1-2-8(19(22)23)4-13(7)20(24)25/h1-2,4-6H,3H2,(H,18,21).
What are the key properties of 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 404.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 4628926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).