N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide

C14H11Cl3N2O2 — CID 60800025

IUPACN-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2c(Cl)cccc2Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-12(9)18)19-13(20)7-21-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyAOJXTECQZLSUCQ-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.25
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide

N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide (PubChem CID 60800025) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
PubChem CID60800025
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2c(Cl)cccc2Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-12(9)18)19-13(20)7-21-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyAOJXTECQZLSUCQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2-iodophenoxy)acetamide
CID 43479671
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649159
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
N-(2-amino-5-fluorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60801946
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
CID 102605623

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide (CID 60800025) is N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide is Nc1cc(NC(=O)COc2c(Cl)cccc2Cl)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide?
The InChIKey is AOJXTECQZLSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c15-9-5-4-8(6-12(9)18)19-13(20)7-21-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide?
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)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-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide is sourced from PubChem (CID 60800025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).