N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide

C10H9Cl2NO3 — CID 134159183

IUPACN-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(O)c(C(C)=O)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-4(14)8-7(16)3-6(11)10(9(8)12)13-5(2)15/h3,16H,1-2H3,(H,13,15)
InChIKeyQROPJUOZAGRYIB-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.86
Rot. Bonds2

About N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide

N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide (PubChem CID 134159183) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide
PubChem CID134159183
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC NameN-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(O)c(C(C)=O)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-4(14)8-7(16)3-6(11)10(9(8)12)13-5(2)15/h3,16H,1-2H3,(H,13,15)
InChIKeyQROPJUOZAGRYIB-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520
3-acetamido-2,4,6-trichloro-5-hydroxybenzoic acid
CID 86105784
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
CID 23242570
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
N-(4-amino-2-chloro-6-fluorophenyl)acetamide
CID 2779532

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide (CID 134159183) is N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide is CC(=O)Nc1c(Cl)cc(O)c(C(C)=O)c1Cl.
What is the InChIKey of N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide?
The InChIKey is QROPJUOZAGRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-4(14)8-7(16)3-6(11)10(9(8)12)13-5(2)15/h3,16H,1-2H3,(H,13,15).
What are the key properties of N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide?
N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide has a molecular weight of 262.09 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 134159183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).