N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H9Cl3N2O4 — CID 1311598

IUPACN-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9Cl3N2O4/c15-10-5-12(17)13(6-11(10)16)23-7-14(20)18-8-2-1-3-9(4-8)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeySMTKHZXVRARLSN-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.57
Rot. Bonds5

About N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 1311598) has the molecular formula C14H9Cl3N2O4 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID1311598
Molecular FormulaC14H9Cl3N2O4
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC NameN-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9Cl3N2O4/c15-10-5-12(17)13(6-11(10)16)23-7-14(20)18-8-2-1-3-9(4-8)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeySMTKHZXVRARLSN-UHFFFAOYSA-N
XLogP4.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.57
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

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
[2-(3-nitroanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 18288310
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19202439
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
1-(4-nitrophenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiourea
CID 17375002

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 1311598) is N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is SMTKHZXVRARLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O4/c15-10-5-12(17)13(6-11(10)16)23-7-14(20)18-8-2-1-3-9(4-8)19(21)22/h1-6H,7H2,(H,18,20).
What are the key properties of N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 375.60 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 1311598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).