N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide

C17H17Cl2NO2 — CID 54785981

IUPACN-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)12-6-3-4-9-15(12)22-10-16(21)20-17-13(18)7-5-8-14(17)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyKHJFWXOWFQCAET-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.13
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 54785981) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID54785981
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)12-6-3-4-9-15(12)22-10-16(21)20-17-13(18)7-5-8-14(17)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyKHJFWXOWFQCAET-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 54785981) is N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is KHJFWXOWFQCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11(2)12-6-3-4-9-15(12)22-10-16(21)20-17-13(18)7-5-8-14(17)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 338.23 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54785981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).