N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide

C9H10ClNO3 — CID 134863167

IUPACN-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)c(Cl)cc1NC(C)=O
InChIInChI=1S/C9H10ClNO3/c1-5(12)11-7-3-6(10)8(13)4-9(7)14-2/h3-4,13H,1-2H3,(H,11,12)
InChIKeyLRUWEOKVFRYBSW-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.01
Rot. Bonds2

About N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide

N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide (PubChem CID 134863167) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide
PubChem CID134863167
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC NameN-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide
SMILESCOc1cc(O)c(Cl)cc1NC(C)=O
InChIInChI=1S/C9H10ClNO3/c1-5(12)11-7-3-6(10)8(13)4-9(7)14-2/h3-4,13H,1-2H3,(H,11,12)
InChIKeyLRUWEOKVFRYBSW-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide (CID 134863167) is N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide is COc1cc(O)c(Cl)cc1NC(C)=O.
What is the InChIKey of N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide?
The InChIKey is LRUWEOKVFRYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-5(12)11-7-3-6(10)8(13)4-9(7)14-2/h3-4,13H,1-2H3,(H,11,12).
What are the key properties of N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide?
N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide has a molecular weight of 215.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-hydroxy-2-methoxyphenyl)acetamide is sourced from PubChem (CID 134863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).