2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide

C8H8ClNO2 — CID 169436577

IUPAC2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
SMILES[2H]c1c([2H])c(NC(=O)C([2H])([2H])Cl)c([2H])c([2H])c1O
InChIInChI=1S/C8H8ClNO2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,10,12)/i1D,2D,3D,4D,5D2
InChIKeyMOICCNYVOWJAOK-NVSFMWKBSA-N
MW191.65 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide

2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide (PubChem CID 169436577) has the molecular formula C8H8ClNO2 and a molecular weight of 191.65 g/mol. Its IUPAC name is 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
PubChem CID169436577
Molecular FormulaC8H8ClNO2
Molecular Weight191.65 g/mol
Exact Mass191.06
IUPAC Name2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
SMILES[2H]c1c([2H])c(NC(=O)C([2H])([2H])Cl)c([2H])c([2H])c1O
InChIInChI=1S/C8H8ClNO2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,10,12)/i1D,2D,3D,4D,5D2
InChIKeyMOICCNYVOWJAOK-NVSFMWKBSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.65
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide
CID 46781402
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
4-chloro-N-thiophen-3-ylbutanamide
CID 66352814
3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide
CID 125452701
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-amino-N-(6-hydroxynaphthalen-2-yl)acetamide
CID 18931987
5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylate
CID 6988728
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide (CID 169436577) is 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide is [2H]c1c([2H])c(NC(=O)C([2H])([2H])Cl)c([2H])c([2H])c1O.
What is the InChIKey of 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide?
The InChIKey is MOICCNYVOWJAOK-NVSFMWKBSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,10,12)/i1D,2D,3D,4D,5D2.
What are the key properties of 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide?
2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide has a molecular weight of 191.65 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-dideuterio-N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 169436577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).