2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide

C14H11Cl2FN2O2 — CID 107571144

IUPAC2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2FN2O2/c15-11-5-9(6-12(16)14(11)17)19-13(20)7-21-10-3-1-8(18)2-4-10/h1-6H,7,18H2,(H,19,20)
InChIKeyPTZLWVLGXOZLSE-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide

2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide (PubChem CID 107571144) has the molecular formula C14H11Cl2FN2O2 and a molecular weight of 329.16 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
PubChem CID107571144
Molecular FormulaC14H11Cl2FN2O2
Molecular Weight329.16 g/mol
Exact Mass328.02
IUPAC Name2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1ccc(OCC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2FN2O2/c15-11-5-9(6-12(16)14(11)17)19-13(20)7-21-10-3-1-8(18)2-4-10/h1-6H,7,18H2,(H,19,20)
InChIKeyPTZLWVLGXOZLSE-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.73
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_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
CID 107334024
2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide (CID 107571144) is 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide is Nc1ccc(OCC(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The InChIKey is PTZLWVLGXOZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O2/c15-11-5-9(6-12(16)14(11)17)19-13(20)7-21-10-3-1-8(18)2-4-10/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide has a molecular weight of 329.16 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 107571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).