N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide

C11H12ClNO3 — CID 12623358

IUPACN-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide
SMILESCC(=O)N(O)C(=O)C(Cl)c1cccc(C)c1
InChIInChI=1S/C11H12ClNO3/c1-7-4-3-5-9(6-7)10(12)11(15)13(16)8(2)14/h3-6,10,16H,1-2H3
InChIKeyGBLKPOLKMORCOO-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.04
Rot. Bonds2

About N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide

N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide (PubChem CID 12623358) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide
PubChem CID12623358
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide
SMILESCC(=O)N(O)C(=O)C(Cl)c1cccc(C)c1
InChIInChI=1S/C11H12ClNO3/c1-7-4-3-5-9(6-7)10(12)11(15)13(16)8(2)14/h3-6,10,16H,1-2H3
InChIKeyGBLKPOLKMORCOO-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(3-methylphenyl)butan-2-one
CID 82161739
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
3-methyl-2-(3-methylphenyl)butanoyl chloride
CID 23465341
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760
4-(dimethylamino)-3-(3-methylphenyl)butan-2-one
CID 57465216
acetic acid;azane;1,3-xylene
CID 21426934
3-methyl-2-(3-methylphenyl)butanethioyl chloride
CID 88691475
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
(2S)-2-(3-methylphenyl)propanoate
CID 86312552

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide?
The IUPAC name of N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide (CID 12623358) is N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide is CC(=O)N(O)C(=O)C(Cl)c1cccc(C)c1.
What is the InChIKey of N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide?
The InChIKey is GBLKPOLKMORCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7-4-3-5-9(6-7)10(12)11(15)13(16)8(2)14/h3-6,10,16H,1-2H3.
What are the key properties of N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide?
N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide has a molecular weight of 241.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 12623358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).