N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H11Cl3N2O2 — CID 29274448

IUPACN-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2O2/c15-10-5-12(17)13(6-11(10)16)21-7-14(20)19-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyKJEPHBWDVOOFAV-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.25
Rot. Bonds4

About N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 29274448) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID29274448
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC NameN-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2O2/c15-10-5-12(17)13(6-11(10)16)21-7-14(20)19-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20)
InChIKeyKJEPHBWDVOOFAV-UHFFFAOYSA-N
XLogP4.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-amino-4,5-dichlorophenoxy)-N-(4-fluorophenyl)acetamide
CID 107498887
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-[4-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 21211528
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-(2,4-dichloro-5-methylphenoxy)-N-pyridin-4-ylacetamide
CID 134123433
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 29274448) is N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is Nc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is KJEPHBWDVOOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c15-10-5-12(17)13(6-11(10)16)21-7-14(20)19-9-3-1-8(18)2-4-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 345.61 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 29274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).