N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide

C16H17ClN2O2 — CID 50881036

IUPACN-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-7-13(18)8-11(2)16(10)19-15(20)9-21-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyRDLSICZKURSSAW-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.56
Rot. Bonds4

About N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide

N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 50881036) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID50881036
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
SMILESCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-7-13(18)8-11(2)16(10)19-15(20)9-21-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyRDLSICZKURSSAW-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.56
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-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 100828362
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
N-(4-amino-2-ethyl-6-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 50880901
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)acetamide
CID 50881024
N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
CID 107334024
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide (CID 50881036) is N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide is Cc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is RDLSICZKURSSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-7-13(18)8-11(2)16(10)19-15(20)9-21-14-5-3-12(17)4-6-14/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide?
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 50881036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).