4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide

C11H11Cl2NO4 — CID 174755418

IUPAC4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-14(18)11(17)9(16)5-8(15)6-3-2-4-7(12)10(6)13/h2-4,8,15,18H,5H2,1H3
InChIKeyWXORZKJXCGKXRE-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.83
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide

4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide (PubChem CID 174755418) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
PubChem CID174755418
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
SMILESCN(O)C(=O)C(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-14(18)11(17)9(16)5-8(15)6-3-2-4-7(12)10(6)13/h2-4,8,15,18H,5H2,1H3
InChIKeyWXORZKJXCGKXRE-UHFFFAOYSA-N
XLogP1.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.83
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-chlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174688321
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
CID 114079785
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The IUPAC name of 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide (CID 174755418) is 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide is CN(O)C(=O)C(=O)CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
The InChIKey is WXORZKJXCGKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-14(18)11(17)9(16)5-8(15)6-3-2-4-7(12)10(6)13/h2-4,8,15,18H,5H2,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide?
4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide has a molecular weight of 292.12 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide is sourced from PubChem (CID 174755418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).