4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide

C11H12ClNO4 — CID 174688321

IUPAC4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-13(17)11(16)10(15)6-9(14)7-4-2-3-5-8(7)12/h2-5,9,14,17H,6H2,1H3
InChIKeyTZGMVDYGLKCBQT-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.18
Rot. Bonds4

About 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide

4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide (PubChem CID 174688321) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
PubChem CID174688321
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-13(17)11(16)10(15)6-9(14)7-4-2-3-5-8(7)12/h2-5,9,14,17H,6H2,1H3
InChIKeyTZGMVDYGLKCBQT-UHFFFAOYSA-N
XLogP1.18
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174755418
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CID 11975499
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
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[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
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(1S)-1-(2-chlorophenyl)-2-nitroethanol
CID 11550196
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416264
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
2-(2-chlorophenyl)butanoate
CID 22456439
1-(2-chlorophenyl)hexan-1-ol
CID 62606389

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide (CID 174688321) is 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide is CN(O)C(=O)C(=O)CC(O)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The InChIKey is TZGMVDYGLKCBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-13(17)11(16)10(15)6-9(14)7-4-2-3-5-8(7)12/h2-5,9,14,17H,6H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide has a molecular weight of 257.67 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide is sourced from PubChem (CID 174688321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).