N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide

C16H13Cl3N2O3 — CID 3080422

IUPACN'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide
SMILESO=C(CCl)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O3/c17-9-14(22)20-21-15(23)16(24,10-1-5-12(18)6-2-10)11-3-7-13(19)8-4-11/h1-8,24H,9H2,(H,20,22)(H,21,23)
InChIKeySGDLEHABJJYDOB-UHFFFAOYSA-N
MW387.65 g/mol
LogP2.62
Rot. Bonds4

About N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide

N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide (PubChem CID 3080422) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide
PubChem CID3080422
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC NameN'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide
SMILESO=C(CCl)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O3/c17-9-14(22)20-21-15(23)16(24,10-1-5-12(18)6-2-10)11-3-7-13(19)8-4-11/h1-8,24H,9H2,(H,20,22)(H,21,23)
InChIKeySGDLEHABJJYDOB-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzilic acid hydrazide
CID 95968
N'-(2-hydroxy-2,2-diphenylacetyl)cyclopropanecarbohydrazide
CID 818579
Benzeneacetic acid, 4-fluoro-alpha-(4-fluorophenyl)-alpha-hydroxy-, 2-(chloroacetyl)hydrazide
CID 1899713
4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide
CID 3347587
Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(chloroacetyl)hydrazide
CID 1928519
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, hydrazide
CID 3078106
Benzeneacetic acid, alpha-hydroxy-4-methyl-alpha-(4-methylphenyl)-, 2-(chloroacetyl)hydrazide
CID 3080421
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, 2-(2-bromo-1-oxopropyl)hydrazide
CID 3080426
1-Piperazineacetic acid, 4-methyl-, 2-(bis(4-chlorophenyl)hydroxyacetyl)hydrazide
CID 3080429
N'-acetyl-2-hydroxy-2,2-diphenylacetohydrazide
CID 818768
(2Z)-4-(4-chlorophenyl)-2-hydroxy-N'-[hydroxy(diphenyl)acetyl]-4-oxobut-2-enehydrazide
CID 1922820
2-(4-Chlorophenyl)-2-hydroxyacetohydrazide
CID 2852687

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide (CID 3080422) is N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide is O=C(CCl)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide?
The InChIKey is SGDLEHABJJYDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c17-9-14(22)20-21-15(23)16(24,10-1-5-12(18)6-2-10)11-3-7-13(19)8-4-11/h1-8,24H,9H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide?
N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide has a molecular weight of 387.65 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2,2-bis(4-chlorophenyl)-2-hydroxyacetohydrazide is sourced from PubChem (CID 3080422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).