N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide

C23H21ClN2O3 — CID 1256753

IUPACN'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide
SMILESCC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-16-13-14-20(15-21(16)24)26(17(2)27)25-22(28)23(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,1-2H3,(H,25,28)
InChIKeyPTZFFTLUTAIOIW-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.97
Rot. Bonds4

About N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide

N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide (PubChem CID 1256753) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide
PubChem CID1256753
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide
SMILESCC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-16-13-14-20(15-21(16)24)26(17(2)27)25-22(28)23(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,1-2H3,(H,25,28)
InChIKeyPTZFFTLUTAIOIW-UHFFFAOYSA-N
XLogP3.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide?
The IUPAC name of N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide (CID 1256753) is N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide is CC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide?
The InChIKey is PTZFFTLUTAIOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16-13-14-20(15-21(16)24)26(17(2)27)25-22(28)23(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,29H,1-2H3,(H,25,28).
What are the key properties of N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide?
N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide has a molecular weight of 408.89 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-chloro-4-methylphenyl)-2-hydroxy-2,2-diphenylacetohydrazide is sourced from PubChem (CID 1256753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).