N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane

C13H22ClNO2 — CID 143730385

IUPACN-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
SMILESCC.CC.CC(=O)Nc1ccc(O)c(C)c1Cl
InChIInChI=1S/C9H10ClNO2.2C2H6/c1-5-8(13)4-3-7(9(5)10)11-6(2)12;2*1-2/h3-4,13H,1-2H3,(H,11,12);2*1-2H3
InChIKeyFUYSRNARDLALHI-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.36
Rot. Bonds1

About N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane

N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane (PubChem CID 143730385) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
PubChem CID143730385
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane
SMILESCC.CC.CC(=O)Nc1ccc(O)c(C)c1Cl
InChIInChI=1S/C9H10ClNO2.2C2H6/c1-5-8(13)4-3-7(9(5)10)11-6(2)12;2*1-2/h3-4,13H,1-2H3,(H,11,12);2*1-2H3
InChIKeyFUYSRNARDLALHI-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-hydroxy-4-methylphenyl)acetamide
CID 141015549
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-tert-butyl-2,3-dichlorophenyl)acetamide
CID 23531002
4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-[2,4-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 67828425
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
CID 150637413
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane?
The IUPAC name of N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane (CID 143730385) is N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane.
What is the SMILES notation for N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane?
The canonical SMILES for N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane is CC.CC.CC(=O)Nc1ccc(O)c(C)c1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane?
The InChIKey is FUYSRNARDLALHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2.2C2H6/c1-5-8(13)4-3-7(9(5)10)11-6(2)12;2*1-2/h3-4,13H,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane?
N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane has a molecular weight of 259.78 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxy-3-methylphenyl)acetamide;ethane is sourced from PubChem (CID 143730385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).