2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide

C17H14Cl5NO2 — CID 19178086

IUPAC2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl5NO2/c1-8(2)9-5-3-4-6-10(9)23-11(24)7-25-17-15(21)13(19)12(18)14(20)16(17)22/h3-6,8H,7H2,1-2H3,(H,23,24)
InChIKeyOSWRTGWHCANTKW-UHFFFAOYSA-N
MW441.57 g/mol
LogP7.09
Rot. Bonds5

About 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide

2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 19178086) has the molecular formula C17H14Cl5NO2 and a molecular weight of 441.57 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID19178086
Molecular FormulaC17H14Cl5NO2
Molecular Weight441.57 g/mol
Exact Mass438.95
IUPAC Name2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H14Cl5NO2/c1-8(2)9-5-3-4-6-10(9)23-11(24)7-25-17-15(21)13(19)12(18)14(20)16(17)22/h3-6,8H,7H2,1-2H3,(H,23,24)
InChIKeyOSWRTGWHCANTKW-UHFFFAOYSA-N
XLogP7.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
2-(4-chlorophenoxy)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 60728567
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7936062
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 114315608

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide (CID 19178086) is 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is OSWRTGWHCANTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl5NO2/c1-8(2)9-5-3-4-6-10(9)23-11(24)7-25-17-15(21)13(19)12(18)14(20)16(17)22/h3-6,8H,7H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide?
2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 441.57 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 19178086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).