N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide

C18H19ClN2O3 — CID 3080421

IUPACN'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
SMILESCc1ccc(C(O)(C(=O)NNC(=O)CCl)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-7-14(8-4-12)18(24,15-9-5-13(2)6-10-15)17(23)21-20-16(22)11-19/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGISPKZVFVFMALF-UHFFFAOYSA-N
MW346.81 g/mol
LogP1.93
Rot. Bonds4

About N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide

N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide (PubChem CID 3080421) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
PubChem CID3080421
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide
SMILESCc1ccc(C(O)(C(=O)NNC(=O)CCl)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-7-14(8-4-12)18(24,15-9-5-13(2)6-10-15)17(23)21-20-16(22)11-19/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGISPKZVFVFMALF-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 51.93
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'}

Analyze N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]propanehydrazide
CID 4597469
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
3-methyl-3-(4-methylphenyl)pentanedioic acid
CID 13396095
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
CID 11487138

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide (CID 3080421) is N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide is Cc1ccc(C(O)(C(=O)NNC(=O)CCl)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide?
The InChIKey is GISPKZVFVFMALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-3-7-14(8-4-12)18(24,15-9-5-13(2)6-10-15)17(23)21-20-16(22)11-19/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide?
N'-(2-chloroacetyl)-2-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide has a molecular weight of 346.81 g/mol, XLogP of 1.93, 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-hydroxy-2,2-bis(4-methylphenyl)acetohydrazide is sourced from PubChem (CID 3080421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).