2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide

C13H18Cl2N2O2 — CID 61486362

IUPAC2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-4-13(2,3)17-11(18)7-19-12-9(14)5-8(16)6-10(12)15/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyKMHHWKLGZADZDL-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486362) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486362
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-4-13(2,3)17-11(18)7-19-12-9(14)5-8(16)6-10(12)15/h5-6H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyKMHHWKLGZADZDL-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.26
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

2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486138
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
N-(1-bromo-3-methyl-2-oxopentan-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 19429760
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486238
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 42373924
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 61486362) is 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is KMHHWKLGZADZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-4-13(2,3)17-11(18)7-19-12-9(14)5-8(16)6-10(12)15/h5-6H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 305.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).