N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide

C10H9Cl2NO3 — CID 12623361

IUPACN-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C(=O)C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)13(16)10(15)9(12)7-3-2-4-8(11)5-7/h2-5,9,16H,1H3
InChIKeyBTFXOGCCUBTVKO-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.38
Rot. Bonds2

About N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide

N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide (PubChem CID 12623361) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide
PubChem CID12623361
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC NameN-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C(=O)C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-6(14)13(16)10(15)9(12)7-3-2-4-8(11)5-7/h2-5,9,16H,1H3
InChIKeyBTFXOGCCUBTVKO-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.38
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

N-acetyl-2-chloro-N-hydroxy-2-(3-methylphenyl)acetamide
CID 12623358
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
(2S)-2-(3-chlorophenyl)-3-oxobutanenitrile
CID 41137898
4-(3-chlorophenyl)-5-methylhexan-3-one
CID 83924568
3-(3-chlorophenyl)-2,4-dioxopentanoic acid
CID 174674103
2-[[2-(3-chlorophenyl)-3-methylbutanoyl]-methylamino]acetic acid
CID 119346472
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550104

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide?
The IUPAC name of N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide (CID 12623361) is N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide.
What is the SMILES notation for N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide?
The canonical SMILES for N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide is CC(=O)N(O)C(=O)C(Cl)c1cccc(Cl)c1.
What is the InChIKey of N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide?
The InChIKey is BTFXOGCCUBTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-6(14)13(16)10(15)9(12)7-3-2-4-8(11)5-7/h2-5,9,16H,1H3.
What are the key properties of N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide?
N-acetyl-2-chloro-2-(3-chlorophenyl)-N-hydroxyacetamide has a molecular weight of 262.09 g/mol, XLogP of 2.38, 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-2-(3-chlorophenyl)-N-hydroxyacetamide is sourced from PubChem (CID 12623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).