N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide

C16H16ClNO3 — CID 838186

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO3/c1-10-4-3-5-11(2)16(10)21-9-15(20)18-13-8-12(17)6-7-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyWADYEMNNLAQHKD-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.68
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 838186) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID838186
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO3/c1-10-4-3-5-11(2)16(10)21-9-15(20)18-13-8-12(17)6-7-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyWADYEMNNLAQHKD-UHFFFAOYSA-N
XLogP3.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
N-(4,5-dimethoxy-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 7923885

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 838186) is N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is WADYEMNNLAQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-4-3-5-11(2)16(10)21-9-15(20)18-13-8-12(17)6-7-14(13)19/h3-8,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 305.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 838186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).