2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide

C8H9ClN2O3 — CID 71773610

IUPAC2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide
SMILESNNC(=O)C(O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O3/c9-6-3-1-5(2-4-6)8(13,14)7(12)11-10/h1-4,13-14H,10H2,(H,11,12)
InChIKeyVABHTWBVQBLZCO-UHFFFAOYSA-N
MW216.62 g/mol
LogP-0.53
Rot. Bonds2

About 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide

2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide (PubChem CID 71773610) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide
PubChem CID71773610
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide
SMILESNNC(=O)C(O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O3/c9-6-3-1-5(2-4-6)8(13,14)7(12)11-10/h1-4,13-14H,10H2,(H,11,12)
InChIKeyVABHTWBVQBLZCO-UHFFFAOYSA-N
XLogP-0.53
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 102059899
2-(4-chlorophenyl)-2-oxoacetohydrazide
CID 163907159
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
2-(4-fluoro-3-methylphenyl)-2-methylpropanehydrazide
CID 116843969
2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
CID 116844040
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide (CID 71773610) is 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide is NNC(=O)C(O)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide?
The InChIKey is VABHTWBVQBLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-3-1-5(2-4-6)8(13,14)7(12)11-10/h1-4,13-14H,10H2,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide?
2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide has a molecular weight of 216.62 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,2-dihydroxyacetohydrazide is sourced from PubChem (CID 71773610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).